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Physical & Chemical properties

Vapour pressure

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Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
From July 18, 2017 to September 14, 2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
The study was suspected to be influenced by trapped gas/impurities.
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Version / remarks:
EU Regulation (EC) 440/2008, Annex Part A test A4.
Deviations:
not specified
GLP compliance:
yes
Type of method:
static method
Key result
Test no.:
#1
Temp.:
ca. 293.15 K
Vapour pressure:
ca. 4 Pa

Full test results

Temp / °C

Temp / K

P / mbar

**P / Pa

Run 1

*20

293.15

0.04

4

 

 

 

 

20.0

293.15

0.0419

4.19

 

 

 

 

30.0

303.15

0.1587

15.87

40.0

313.15

0.4536

45.36

50.0

323.15

1.4

140

Run 2

*20

293.15

0.04

4

20.2

293.35

0.0438

4.38

30.1

303.25

0.1209

12.09

40.2

313.35

0.2669

26.69

50.1

323.25

0.6388

63.88

 

* - Determined by extrapolation

** - Calculated

In test run 1, the test substance was a single solid mass. A mixture of white powder and small solid lumps were scrapped / broken off the surface of the product. For test run 1, 10.3 g of solid was placed under vacuumfor 16 h. The starting pressure was 0.0012 mbar. For test run 2, 9.8g of solid was placed under vacuum for 22 h. The starting pressure was 0.0010 mbar.

Conclusions:
Under the study conditions, the vapour pressure of the test substance was determined to be 4 Pa at 20°C.
Executive summary:

A study was conducted to determine the vapour pressure of the test substance using the static method, according to EU Method A.4, in compliance with GLP. In test run 1, the test substance was a single solid mass. A mixture of white powder and small solid lumps were scrapped / broken off the surface of the product. For test run 1, 10.3 g of solid was placed under vacuumfor 16 h. The starting pressure was 0.12 Pa. For test run 2, 9.8g of solid was placed under vacuum for 22 h. The starting pressure was 0.10 Pa. Under the study conditions, the vapour pressure of the test substance was determined to be 4 Pa at 20°C (Chilworth, 2017). The study was suspected to be influenced by trapped gas/impurities.

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction from an well known and acknowledged tool. See below under 'Overall remarks, attachments' for applicability domain.
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
Principles of method if other than guideline:
Since the test substance is a UVCB with similar constituents varying mainly in carbon chain lengths, the vapour pressure values were estimated for the individual components followed by the determination of an overall weighted-average value using the mole fractions of all the individual components.
Key result
Test no.:
#1
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0 Pa
Remarks on result:
other: Weighted average vapour pressure estimation using MPBPWIN v.1.43

QSAR Prediction results

Chemical names

SMILES

Mole fraction Xi = (mi/Mi)/∑ (mi/Mi)

VP (Pa)

Vp (Pa)*xi

Domain evaulation

hexadecyl dihydrogen phosphate

CCCCCCCCCCCCCCCCOP(O)(O)=O

0.13747946

5.46E-08

7.51E-09

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

octadecyl dihydrogen phosphate

CCCCCCCCCCCCCCCCCCOP(O)(O)=O

0.2529531

9.71E-09

2.46E-09

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

C16 10 ethoxylated 10

CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(O)(O)=O

0.08310308

8.07E-09

6.71E-10

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

C18 10 ethoxylated 10

CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(O)(O)=O

0.04752624

8.07E-09

3.84E-10

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

dihexadecyl hydrogen phosphate

CCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCC

0.0749019

3.48E-08

2.61E-09

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

di-Cetearyl hydrogen phosphate (diester)

CCCCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCCCC

0.13493309

2.38E-08

3.21E-09

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

Cetearyl and ceteareth phosphate (mixed diester)

CCCCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCC

0.11642994

2.38E-08

2.77E-09

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

di-Ceteareth-10 hydrogen phosphate (diester)

CCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCC

0.02818109

2.38E-08

6.71E-10

ID (Melting point) OD(Molecular weight, Boiling point, Vapour pressure)

hexadecan-1-ol

CCCCCCCCCCCCCCCCO

0.01388594

1.19E-03

1.65E-05

ID (Molecular weight, Vapour pressure and Melting point) OD(Boiling point)

octadecan-1-ol

CCCCCCCCCCCCCCCCCCO

0.02074335

2.44E-04

5.06E-06

ID (Molecular weight, Vapour pressure and Melting point) OD(Boiling point)

C16 ethoxylated alcohol

CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

0.05750821

3.63E-17

2.09E-18

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

C18 ethoxylated alcohol

CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

0.0323546

4.71E-18

1.52E-19

ID (Molecular weight and Melting point) OD(Boiling point, Vapour pressure)

 

 

1.0000000

 

2.16E-05

 

ID - In Domain, OD - Out Domain

BP - Boiling Point, MP - Melting Point, VP - Vapour pressure

VP
Experimental Database Structure Match: no data      
       
SMILES : CCCCCCCCCCCCCCCCOP(O)(O)=O      
CHEM  :       
MOL FOR: C16 H35 O4 P1    MW (Training set) MW (Validation)
MOL WT : 322.43 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 454.33 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  75.00 deg C (Adapted Joback Method)      
Melting Point: 151.62 deg C (Gold and Ogle Method)      
Mean Melt Pt : 113.31 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  87.77 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 454.33 deg C (estimated))      
 (Using MP: 87.77 deg C (estimated))      
   VP: 1.24E-011 mm Hg (Antoine Method)      
     : 1.65E-009 Pa (Antoine Method)      
   VP: 4.1E-010 mm Hg (Modified Grain Method)      
     : 5.46E-008 Pa (Modified Grain Method)      
   VP: 1.93E-007 mm Hg (Mackay Method)      
     : 2.58E-005 Pa (Mackay Method)      
 Selected VP: 4.1E-010 mm Hg (Modified Grain Method)     VP cut off
            : 5.46E-008 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 1.64E-009 mm Hg (25 deg C, Mod-Grain method)      
                    : 2.19E-007 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  21.98 |  21.98      
 Group | 15 | -CH2-            |  24.22 | 363.30      
 Group | 2 | -OH (alcohol)    | 106.27 | 212.54      
 Group | 1 | -O- (nonring)    |  25.16 |  25.16      
 Group | 1 | O=P<             | 107.23 | 107.23      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 928.39      
RESULT- corr | BOILING POINT in deg Kelvin | 727.49      
            | BOILING POINT in deg C      | 454.33      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  -5.10 |  -5.10      
 Group | 15 | -CH2-            |  11.27 | 169.05      
 Group | 2 | -OH (alcohol)    |  44.45 |  88.90      
 Group | 1 | -O- (nonring)    |  22.23 |  22.23      
 Group | 1 | O=P<             |  50.00 |  50.00      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 447.58      
Special-limit| MELTING POINT in deg Kelvin | 348.16      
            | MELTING POINT in deg C      |  75.00      
-------------------------------------------------------      
       
       
Experimental Database Structure Match: no data      
       
SMILES : CCCCCCCCCCCCCCCCCCOP(O)(O)=O      
CHEM  :       
MOL FOR: C18 H39 O4 P1    MW (Training set) MW (Validation)
MOL WT : 350.48 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 477.54 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  75.00 deg C (Adapted Joback Method)      
Melting Point: 165.17 deg C (Gold and Ogle Method)      
Mean Melt Pt : 120.09 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  90.03 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 477.54 deg C (estimated))      
 (Using MP: 90.03 deg C (estimated))      
   VP: 9.47E-013 mm Hg (Antoine Method)      
     : 1.26E-010 Pa (Antoine Method)      
   VP: 7.28E-011 mm Hg (Modified Grain Method)      
     : 9.71E-009 Pa (Modified Grain Method)      
   VP: 4.87E-008 mm Hg (Mackay Method)      
     : 6.49E-006 Pa (Mackay Method)      
 Selected VP: 7.28E-011 mm Hg (Modified Grain Method)     VP cut off
            : 9.71E-009 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 3.08E-010 mm Hg (25 deg C, Mod-Grain method)      
                    : 4.11E-008 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  21.98 |  21.98      
 Group | 17 | -CH2-            |  24.22 | 411.74      
 Group | 2 | -OH (alcohol)    | 106.27 | 212.54      
 Group | 1 | -O- (nonring)    |  25.16 |  25.16      
 Group | 1 | O=P<             | 107.23 | 107.23      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 976.83      
RESULT- corr | BOILING POINT in deg Kelvin | 750.70      
            | BOILING POINT in deg C      | 477.54      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  -5.10 |  -5.10      
 Group | 17 | -CH2-            |  11.27 | 191.59      
 Group | 2 | -OH (alcohol)    |  44.45 |  88.90      
 Group | 1 | -O- (nonring)    |  22.23 |  22.23      
 Group | 1 | O=P<             |  50.00 |  50.00      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 470.12      
Special-limit| MELTING POINT in deg Kelvin | 348.16      
            | MELTING POINT in deg C      |  75.00      
-------------------------------------------------------      
       
       
Experimental Database Structure Match: no data      
       
SMILES : CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(O)(O)=O      
CHEM  :       
MOL FOR: C36 H75 O14 P1    MW (Training set) MW (Validation)
MOL WT : 762.97 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 480.00 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  75.00 deg C (Adapted Joback Method)      
Melting Point: 166.61 deg C (Gold and Ogle Method)      
Mean Melt Pt : 120.81 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  90.27 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 480.00 deg C (estimated))      
 (Using MP: 90.27 deg C (estimated))      
   VP: 7.15E-013 mm Hg (Antoine Method)      
     : 9.54E-011 Pa (Antoine Method)      
   VP: 6.06E-011 mm Hg (Modified Grain Method)      
     : 8.07E-009 Pa (Modified Grain Method)      
   VP: 4.2E-008 mm Hg (Mackay Method)      
     : 5.61E-006 Pa (Mackay Method)      
 Selected VP: 6.06E-011 mm Hg (Modified Grain Method)     VP cut off
            : 8.07E-009 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 2.58E-010 mm Hg (25 deg C, Mod-Grain method)      
                    : 3.44E-008 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  21.98 |  21.98      
 Group | 35 | -CH2-            |  24.22 | 847.70      
 Group | 2 | -OH (alcohol)    | 106.27 | 212.54      
 Group | 11 | -O- (nonring)    |  25.16 | 276.76      
 Group | 1 | O=P<             | 107.23 | 107.23      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 1664.39      
RESULT- corr | BOILING POINT in deg Kelvin | 1080.11      
Special-Limit| BOILING POINT in deg Kelvin | 753.16      
            | BOILING POINT in deg C      | 480.00      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  -5.10 |  -5.10      
 Group | 35 | -CH2-            |  11.27 | 394.45      
 Group | 2 | -OH (alcohol)    |  44.45 |  88.90      
 Group | 11 | -O- (nonring)    |  22.23 | 244.53      
 Group | 1 | O=P<             |  50.00 |  50.00      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 895.28      
Special-limit| MELTING POINT in deg Kelvin | 348.16      
            | MELTING POINT in deg C      |  75.00      
-------------------------------------------------------      
       
Experimental Database Structure Match: no data      
       
SMILES : CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(O)(O)=O      
CHEM  :       
MOL FOR: C38 H79 O14 P1    MW (Training set) MW (Validation)
MOL WT : 791.02 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 480.00 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  75.00 deg C (Adapted Joback Method)      
Melting Point: 166.61 deg C (Gold and Ogle Method)      
Mean Melt Pt : 120.81 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  90.27 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 480.00 deg C (estimated))      
 (Using MP: 90.27 deg C (estimated))      
   VP: 7.15E-013 mm Hg (Antoine Method)      
     : 9.54E-011 Pa (Antoine Method)      
   VP: 6.06E-011 mm Hg (Modified Grain Method)      
     : 8.07E-009 Pa (Modified Grain Method)      
   VP: 4.2E-008 mm Hg (Mackay Method)      
     : 5.61E-006 Pa (Mackay Method)      
 Selected VP: 6.06E-011 mm Hg (Modified Grain Method)     VP cut off
            : 8.07E-009 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 2.58E-010 mm Hg (25 deg C, Mod-Grain method)      
                    : 3.44E-008 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  21.98 |  21.98      
 Group | 37 | -CH2-            |  24.22 | 896.14      
 Group | 2 | -OH (alcohol)    | 106.27 | 212.54      
 Group | 11 | -O- (nonring)    |  25.16 | 276.76      
 Group | 1 | O=P<             | 107.23 | 107.23      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 1712.83      
RESULT- corr | BOILING POINT in deg Kelvin | 1103.32      
Special-Limit| BOILING POINT in deg Kelvin | 753.16      
            | BOILING POINT in deg C      | 480.00      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  -5.10 |  -5.10      
 Group | 37 | -CH2-            |  11.27 | 416.99      
 Group | 2 | -OH (alcohol)    |  44.45 |  88.90      
 Group | 11 | -O- (nonring)    |  22.23 | 244.53      
 Group | 1 | O=P<             |  50.00 |  50.00      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 917.82      
Special-limit| MELTING POINT in deg Kelvin | 348.16      
            | MELTING POINT in deg C      |  75.00      
-------------------------------------------------------      
       
Experimental Database Structure Match:      
 Name    : Dicetylphosphate      
 CAS Num : 002197-63-9      
 Exp MP (deg C): 74-75       
 Exp BP (deg C): ---       
 Exp VP (mm Hg): ---       
       
SMILES : CCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCC      
CHEM  :       
MOL FOR: C32 H67 O4 P1    MW (Training set) MW (Validation)
MOL WT : 546.86 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 480.00 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  75.00 deg C (Adapted Joback Method)      
Melting Point: 166.61 deg C (Gold and Ogle Method)      
Mean Melt Pt : 120.81 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  90.27 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 480.00 deg C (estimated))      
 (Using MP: 74.00 deg C (exp database))      
   VP: 3.64E-012 mm Hg (Antoine Method)      
     : 4.85E-010 Pa (Antoine Method)      
   VP: 2.61E-010 mm Hg (Modified Grain Method)      
     : 3.48E-008 Pa (Modified Grain Method)      
   VP: 6.09E-008 mm Hg (Mackay Method)      
     : 8.12E-006 Pa (Mackay Method)      
 Selected VP: 2.61E-010 mm Hg (Modified Grain Method)     VP cut off
            : 3.48E-008 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 7.58E-010 mm Hg (25 deg C, Mod-Grain method)      
                    : 1.01E-007 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 2 | -CH3             |  21.98 |  43.96      
 Group | 30 | -CH2-            |  24.22 | 726.60      
 Group | 1 | -OH (alcohol)    | 106.27 | 106.27      
 Group | 2 | -O- (nonring)    |  25.16 |  50.32      
 Group | 1 | O=P<             | 107.23 | 107.23      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 1232.56      
RESULT- corr | BOILING POINT in deg Kelvin | 873.22      
Special-Limit| BOILING POINT in deg Kelvin | 753.16      
            | BOILING POINT in deg C      | 480.00      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 2 | -CH3             |  -5.10 | -10.20      
 Group | 30 | -CH2-            |  11.27 | 338.10      
 Group | 1 | -OH (alcohol)    |  44.45 |  44.45      
 Group | 2 | -O- (nonring)    |  22.23 |  44.46      
 Group | 1 | O=P<             |  50.00 |  50.00      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 589.31      
Special-limit| MELTING POINT in deg Kelvin | 348.16      
            | MELTING POINT in deg C      |  75.00      
-------------------------------------------------------      
       
       
       
Experimental Database Structure Match: no data      
       
SMILES : CCCCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCCCC      
CHEM  :       
MOL FOR: C36 H75 O4 P1    MW (Training set) MW (Validation)
MOL WT : 602.97 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 480.00 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  75.00 deg C (Adapted Joback Method)      
Melting Point: 166.61 deg C (Gold and Ogle Method)      
Mean Melt Pt : 120.81 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  90.27 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 480.00 deg C (estimated))      
 (Using MP: 90.27 deg C (estimated))      
   VP: 2.49E-012 mm Hg (Antoine Method)      
     : 3.32E-010 Pa (Antoine Method)      
   VP: 1.78E-010 mm Hg (Modified Grain Method)      
     : 2.38E-008 Pa (Modified Grain Method)      
   VP: 4.2E-008 mm Hg (Mackay Method)      
     : 5.61E-006 Pa (Mackay Method)      
 Selected VP: 1.78E-010 mm Hg (Modified Grain Method)     VP cut off
            : 2.38E-008 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 7.58E-010 mm Hg (25 deg C, Mod-Grain method)      
                    : 1.01E-007 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 2 | -CH3             |  21.98 |  43.96      
 Group | 34 | -CH2-            |  24.22 | 823.48      
 Group | 1 | -OH (alcohol)    | 106.27 | 106.27      
 Group | 2 | -O- (nonring)    |  25.16 |  50.32      
 Group | 1 | O=P<             | 107.23 | 107.23      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 1329.44      
RESULT- corr | BOILING POINT in deg Kelvin | 919.63      
Special-Limit| BOILING POINT in deg Kelvin | 753.16      
            | BOILING POINT in deg C      | 480.00      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 2 | -CH3             |  -5.10 | -10.20      
 Group | 34 | -CH2-            |  11.27 | 383.18      
 Group | 1 | -OH (alcohol)    |  44.45 |  44.45      
 Group | 2 | -O- (nonring)    |  22.23 |  44.46      
 Group | 1 | O=P<             |  50.00 |  50.00      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 634.39      
Special-limit| MELTING POINT in deg Kelvin | 348.16      
            | MELTING POINT in deg C      |  75.00      
-------------------------------------------------------      
       
       
Experimental Database Structure Match: no data      
       
SMILES : CCCCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCC      
CHEM  :       
MOL FOR: C44 H91 O9 P1    MW (Training set) MW (Validation)
MOL WT : 795.18 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 480.00 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  75.00 deg C (Adapted Joback Method)      
Melting Point: 166.61 deg C (Gold and Ogle Method)      
Mean Melt Pt : 120.81 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  90.27 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 480.00 deg C (estimated))      
 (Using MP: 90.27 deg C (estimated))      
   VP: 2.49E-012 mm Hg (Antoine Method)      
     : 3.32E-010 Pa (Antoine Method)      
   VP: 1.78E-010 mm Hg (Modified Grain Method)      
     : 2.38E-008 Pa (Modified Grain Method)      
   VP: 4.2E-008 mm Hg (Mackay Method)      
     : 5.61E-006 Pa (Mackay Method)      
 Selected VP: 1.78E-010 mm Hg (Modified Grain Method)     VP cut off
            : 2.38E-008 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 7.58E-010 mm Hg (25 deg C, Mod-Grain method)      
                    : 1.01E-007 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 2 | -CH3             |  21.98 |  43.96      
 Group | 42 | -CH2-            |  24.22 | 1017.24      
 Group | 1 | -OH (alcohol)    | 106.27 | 106.27      
 Group | 7 | -O- (nonring)    |  25.16 | 176.12      
 Group | 1 | O=P<             | 107.23 | 107.23      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 1649.00      
RESULT- corr | BOILING POINT in deg Kelvin | 1072.74      
Special-Limit| BOILING POINT in deg Kelvin | 753.16      
            | BOILING POINT in deg C      | 480.00      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 2 | -CH3             |  -5.10 | -10.20      
 Group | 42 | -CH2-            |  11.27 | 473.34      
 Group | 1 | -OH (alcohol)    |  44.45 |  44.45      
 Group | 7 | -O- (nonring)    |  22.23 | 155.61      
 Group | 1 | O=P<             |  50.00 |  50.00      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 835.70      
Special-limit| MELTING POINT in deg Kelvin | 348.16      
            | MELTING POINT in deg C      |  75.00      
-------------------------------------------------------      
       
       
Experimental Database Structure Match: no data      
       
SMILES : CCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCCOCCOCCOCCO      
        CCOCC      
CHEM  :       
MOL FOR: C54 H111 O14 P1    MW (Training set) MW (Validation)
MOL WT : 1015.45 OD 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 480.00 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  75.00 deg C (Adapted Joback Method)      
Melting Point: 166.61 deg C (Gold and Ogle Method)      
Mean Melt Pt : 120.81 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  90.27 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 480.00 deg C (estimated))      
 (Using MP: 90.27 deg C (estimated))      
   VP: 2.49E-012 mm Hg (Antoine Method)      
     : 3.32E-010 Pa (Antoine Method)      
   VP: 1.78E-010 mm Hg (Modified Grain Method)      
     : 2.38E-008 Pa (Modified Grain Method)      
   VP: 4.2E-008 mm Hg (Mackay Method)      
     : 5.61E-006 Pa (Mackay Method)      
 Selected VP: 1.78E-010 mm Hg (Modified Grain Method)     VP cut off
            : 2.38E-008 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 7.58E-010 mm Hg (25 deg C, Mod-Grain method)      
                    : 1.01E-007 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 2 | -CH3             |  21.98 |  43.96      
 Group | 52 | -CH2-            |  24.22 | 1259.44      
 Group | 1 | -OH (alcohol)    | 106.27 | 106.27      
 Group | 12 | -O- (nonring)    |  25.16 | 301.92      
 Group | 1 | O=P<             | 107.23 | 107.23      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 2017.00      
RESULT- corr | BOILING POINT in deg Kelvin | 1249.04      
Special-Limit| BOILING POINT in deg Kelvin | 753.16      
            | BOILING POINT in deg C      | 480.00      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 2 | -CH3             |  -5.10 | -10.20      
 Group | 52 | -CH2-            |  11.27 | 586.04      
 Group | 1 | -OH (alcohol)    |  44.45 |  44.45      
 Group | 12 | -O- (nonring)    |  22.23 | 266.76      
 Group | 1 | O=P<             |  50.00 |  50.00      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 1059.55      
Special-limit| MELTING POINT in deg Kelvin | 348.16      
            | MELTING POINT in deg C      |  75.00      
-------------------------------------------------------      
       
       
Experimental Database Structure Match:      
 Name    : HEXADECANOL      
 CAS Num : 029354-98-1      
 Exp MP (deg C): 49-50       
 Exp BP (deg C): ---       
 Exp VP (mm Hg): ---       
       
Experimental Database Structure Match:      
 Name    : 1-HEXADECANOL      
 CAS Num : 036653-82-4      
 Exp MP (deg C): 49.3       
 Exp BP (deg C): 334       
 Exp VP (mm Hg): 6.00E-06 (extrapolated)      
        (Pa  ): 8.00E-004      
 Exp VP (deg C): 25       
 Exp VP ref   : DAUBERT,TE & DANNER,RP (1995)       
       
SMILES : CCCCCCCCCCCCCCCCO      
CHEM  :       
MOL FOR: C16 H34 O1    MW (Training set) MW (Validation)
MOL WT : 242.45 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 330.79 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  57.74 deg C (Adapted Joback Method)      
Melting Point:  79.48 deg C (Gold and Ogle Method)      
Mean Melt Pt :  68.61 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  68.61 deg C (Mean Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 334.00 deg C (exp database))      
 (Using MP: 49.30 deg C (exp database))      
   VP: 4.48E-006 mm Hg (Antoine Method)      
     : 0.000598 Pa (Antoine Method)      
   VP: 8.93E-006 mm Hg (Modified Grain Method)      
     : 0.00119 Pa (Modified Grain Method)      
   VP: 0.000354 mm Hg (Mackay Method)      
     : 0.0472 Pa (Mackay Method)      
 Selected VP: 8.93E-006 mm Hg (Modified Grain Method)     VP cut off
            : 0.00119 Pa (Modified Grain Method)   ID 0.0001333 Pa
 Subcooled liquid VP: 1.04E-005 mm Hg (25 deg C, exp database VP )      
                    : 0.00139 Pa (25 deg C, exp database VP )      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  21.98 |  21.98      
 Group | 15 | -CH2-            |  24.22 | 363.30      
 Group | 1 | -OH (primary)    |  88.46 |  88.46      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 671.92      
RESULT- corr | BOILING POINT in deg Kelvin | 603.95      
            | BOILING POINT in deg C      | 330.79      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  -5.10 |  -5.10      
 Group | 15 | -CH2-            |  11.27 | 169.05      
 Group | 1 | -OH (primary)    |  44.45 |  44.45      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 330.90      
            | MELTING POINT in deg C      |  57.74      
-------------------------------------------------------      
       
Experimental Database Structure Match:      
 Name    : 1-OCTADECANOL      
 CAS Num : 000112-92-5      
 Exp MP (deg C): 59.5       
 Exp BP (deg C): 210 @ 15 mm Hg      
 Exp VP (mm Hg): 2.70E-06       
        (Pa  ): 3.60E-004      
 Exp VP (deg C): 25       
 Exp VP ref   : DAUBERT,TE & DANNER,RP (1989)       
       
SMILES : CCCCCCCCCCCCCCCCCCO      
CHEM  :       
MOL FOR: C18 H38 O1    MW (Training set) MW (Validation)
MOL WT : 270.50 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 354.66 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point:  80.28 deg C (Adapted Joback Method)      
Melting Point:  93.43 deg C (Gold and Ogle Method)      
Mean Melt Pt :  86.85 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP:  86.85 deg C (Mean Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 354.66 deg C (estimated))      
 (Using MP: 59.50 deg C (exp database))      
   VP: 6.78E-007 mm Hg (Antoine Method)      
     : 9.04E-005 Pa (Antoine Method)      
   VP: 1.83E-006 mm Hg (Modified Grain Method)      
     : 0.000244 Pa (Modified Grain Method)      
   VP: 9.28E-005 mm Hg (Mackay Method)      
     : 0.0124 Pa (Mackay Method)      
 Selected VP: 1.83E-006 mm Hg (Modified Grain Method)     VP cut off
            : 0.000244 Pa (Modified Grain Method)   ID 0.0001333 Pa
 Subcooled liquid VP: 5.92E-006 mm Hg (25 deg C, exp database VP )      
                    : 0.00079 Pa (25 deg C, exp database VP )      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  21.98 |  21.98      
 Group | 17 | -CH2-            |  24.22 | 411.74      
 Group | 1 | -OH (primary)    |  88.46 |  88.46      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 720.36      
RESULT- corr | BOILING POINT in deg Kelvin | 627.82      
            | BOILING POINT in deg C      | 354.66      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  -5.10 |  -5.10      
 Group | 17 | -CH2-            |  11.27 | 191.59      
 Group | 1 | -OH (primary)    |  44.45 |  44.45      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 353.44      
            | MELTING POINT in deg C      |  80.28      
-------------------------------------------------------      
       
       
Experimental Database Structure Match: no data      
       
SMILES : CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO      
CHEM  :       
MOL FOR: C36 H74 O11    MW (Training set) MW (Validation)
MOL WT : 682.99 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 684.07 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point: 349.84 deg C (Adapted Joback Method)      
Melting Point: 285.77 deg C (Gold and Ogle Method)      
Mean Melt Pt : 317.80 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP: 298.58 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 684.07 deg C (estimated))      
 (Using MP: 298.58 deg C (estimated))      
   VP: 3.65E-027 mm Hg (Antoine Method)      
     : 4.86E-025 Pa (Antoine Method)      
   VP: 2.73E-019 mm Hg (Modified Grain Method)      
     : 3.63E-017 Pa (Modified Grain Method)      
   VP: 1.8E-015 mm Hg (Mackay Method)      
     : 2.41E-013 Pa (Mackay Method)      
 Selected VP: 2.73E-019 mm Hg (Modified Grain Method)     VP cut off
            : 3.63E-017 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 3.07E-016 mm Hg (25 deg C, Mod-Grain method)      
                    : 4.09E-014 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  21.98 |  21.98      
 Group | 35 | -CH2-            |  24.22 | 847.70      
 Group | 10 | -O- (nonring)    |  25.16 | 251.60      
 Group | 1 | -OH (primary)    |  88.46 |  88.46      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 1407.92      
RESULT- corr | BOILING POINT in deg Kelvin | 957.23      
            | BOILING POINT in deg C      | 684.07      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  -5.10 |  -5.10      
 Group | 35 | -CH2-            |  11.27 | 394.45      
 Group | 10 | -O- (nonring)    |  22.23 | 222.30      
 Group | 1 | -OH (primary)    |  44.45 |  44.45      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 778.60      
 RESULT-limit| MELTING POINT in deg Kelvin | 623.00      
            | MELTING POINT in deg C      | 349.84      
-------------------------------------------------------      
       
       
Experimental Database Structure Match: no data      
       
SMILES : CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO      
CHEM  :       
MOL FOR: C38 H78 O11    MW (Training set) MW (Validation)
MOL WT : 711.04 ID 16.04 943.17
------------------------ SUMMARY MPBPWIN v1.43 --------------------      
       
      BP cut off (deg C)
Boiling Point: 707.28 deg C (Adapted Stein and Brown Method)   OD 226.85
       
Melting Point: 349.84 deg C (Adapted Joback Method)      
Melting Point: 299.32 deg C (Gold and Ogle Method)      
Mean Melt Pt : 324.58 deg C (Joback; Gold,Ogle Methods)     MP cut off
 Selected MP: 309.42 deg C (Weighted Value)   ID 350 deg C
       
Vapor Pressure Estimations (25 deg C):      
 (Using BP: 707.28 deg C (estimated))      
 (Using MP: 309.42 deg C (estimated))      
   VP: 3.4E-029 mm Hg (Antoine Method)      
     : 4.54E-027 Pa (Antoine Method)      
   VP: 3.53E-020 mm Hg (Modified Grain Method)      
     : 4.71E-018 Pa (Modified Grain Method)      
   VP: 3.34E-016 mm Hg (Mackay Method)      
     : 4.45E-014 Pa (Mackay Method)      
 Selected VP: 3.53E-020 mm Hg (Modified Grain Method)     VP cut off
            : 4.71E-018 Pa (Modified Grain Method)   OD 0.0001333 Pa
 Subcooled liquid VP: 5.46E-017 mm Hg (25 deg C, Mod-Grain method)      
                    : 7.28E-015 Pa (25 deg C, Mod-Grain method)      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | BOIL DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  21.98 |  21.98      
 Group | 37 | -CH2-            |  24.22 | 896.14      
 Group | 10 | -O- (nonring)    |  25.16 | 251.60      
 Group | 1 | -OH (primary)    |  88.46 |  88.46      
  *  |    | Equation Constant |         | 198.18      
=============+====================+==========+=========      
RESULT-uncorr| BOILING POINT in deg Kelvin | 1456.36      
RESULT- corr | BOILING POINT in deg Kelvin | 980.44      
            | BOILING POINT in deg C      | 707.28      
-------------------------------------------------------      
       
-------+-----+--------------------+----------+---------      
 TYPE | NUM | MELT DESCRIPTION | COEFF  | VALUE        
-------+-----+--------------------+----------+---------      
 Group | 1 | -CH3             |  -5.10 |  -5.10      
 Group | 37 | -CH2-            |  11.27 | 416.99      
 Group | 10 | -O- (nonring)    |  22.23 | 222.30      
 Group | 1 | -OH (primary)    |  44.45 |  44.45      
  *  |    | Equation Constant |         | 122.50      
=============+====================+==========+=========      
  RESULT   | MELTING POINT in deg Kelvin | 801.14      
 RESULT-limit| MELTING POINT in deg Kelvin | 623.00      
            | MELTING POINT in deg C      | 349.84      
-------------------------------------------------------      
Conclusions:
Using the Modified Grain method of the MPBPWIN v1.43 program (EPI Suite v4.11), the weighted average vapour pressure of the test substance was calculated to be 2.16E-5 Pa.
Executive summary:

The vapour pressure (VP) value for the test substance, were estimated using the Modified Grain method of the MPBPWIN v1.43 program of EPI Suite v4.11. Since the test substance is a UVCB with similar constituents varying mainly in carbon chain lengths, the vapour pressure values were estimated for the individual components followed by the determination of an overall weighted-average value using the mole fractions of all the individual components. SMILES codes were used as the input parameter for the vapour pressure estimation for the individual constituents. The estimated vapour pressure of the constituents were found to range from 4.71E-18 to 1.19E-3 Pa leading to a weighted average value of 2.16E-5 (US EPA, 2018) indicating that the test substance has low volatility (ECHA R.7c, 2017). The estimates for the major constituents are considered to be reliable with restrictions, as they do not completely fall within of the applicability domain.

Description of key information

The vapour pressure of the test substance was determined experimentally using the static method, according to EU A.4 Method (Chilworth, 2017) as well using QSAR model EPI Suite (US EPA, 2018).

Key value for chemical safety assessment

Vapour pressure:
4 Pa
at the temperature of:
20 °C

Additional information

- Experimental VP = 4 Pa at 20 °C (using static method); study suspected to be influenced by trapped gas/impurities.

- Weighted average QSAR based VP = 2.16E-5 Pa at 25°C (using EPI Suite v.4.11). The estimates for the major constituents are considered to be reliable with restrictions, as they do not completely fall within of the applicability domain.

Overall, based on the above information, the test substance can be considered to have low volatility potential. However, the higher VP value of 4 Pa has been considered further for hazard/risk assessment as a conservative approach.