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Diss Factsheets

Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated from a measured vapour pressure curve
Remarks:
not GLP
Qualifier:
according to guideline
Guideline:
other: not known
Principles of method if other than guideline:
Calculated according Clausius Clapeyron equation from a measured vapour pressure diagram. Measurement of the boiling range of Ethylhexyl methacrylate,dynamic.
GLP compliance:
no
Type of method:
other: Calculated according Clausius Clapeyron equation from a measured vapour pressure diagram
Boiling pt.:
227.6 °C
Atm. press.:
1 013 hPa

Vapor pressure curve:

        p (hPa)         T (°C)
        13.3               110.8
        40                 130.9
        66.6               141.9
        133                160.2
        267                181
        400                194.7
        533                204.9
        667                213.1
        800                220.2
        933                226.5
        1067                230

The boiling point has been extrapolated according to the method of Clausius Clapeyron.

Conclusions:
A reliable experimental value of 227.6 °C at 1013 hPa (calculated from a measured vapour pressure curve) is available.
Executive summary:

A reliable experimental value of 227.6 °C at 1013 hPa (calculated from a measured vapour pressure curve) is available.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated from a measured vapour pressure curve
Guideline:
other: not known
GLP compliance:
not specified
Type of method:
dynamic method
Boiling pt.:
275.2 °C
Atm. press.:
1 013 hPa
Conclusions:
A reliable experimental value of 275.2 °C at 1013 hPa (calculated from a measured vapour pressure curve) is available.
Executive summary:

A reliable experimental value of 275.2 °C at 1013 hPa (calculated from a measured vapour pressure curve) is available.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
non GLP. Study performed and documented equivalent to GLP standards. Study according to relevant guideline.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Version / remarks:
adopted 27 th July 1995
Deviations:
no
Principles of method if other than guideline:
In a measurement with differential scanning calorimetry (DSC) a sample of the test item and a reference material (identical crucible without the test
item) are subjected to the same controlled temperature program. The difference in the temperatures of the test item and the reference material is the original measurement signal which is internally assigned to the heat flow rate. The heat flux DSC belongs to the class of heat-exchanging
calorimeters. A defined exchange of the heat to be measured takes place via a thermal resistance. In contrast in the power compensation DSC, the
heat to be measured is compensated with electric energy, by increasing or decreasing an adjustable heating power.
When the sample undergoes a transition involving a change in enthalpy, for example an endothermic melting or boiling transition, that change is
indicated by a departure from the base line of the heat flow record. The peak area is proportional to the change in enthalpy.
GLP compliance:
no
Remarks:
Study performed and documented equivalent to GLP standards.
Type of method:
differential scanning calorimetry
Boiling pt.:
263 °C
Atm. press.:
1 018 hPa

The boiling temperature of the test item was determined by differential scanning calorimetry according to EEC-Directive 92/69 EEC, Part A, Methods for the determination of physicochemical properties, A.2 "Boiling temperature", EEC Publication No. L383, December 1992.

Boiling Point: 263 °C

Conclusions:
The boiling temperature of the test item was determined by differential scanning calorimetry according to EEC-Directive 92/69 EEC, Part A, Methods for the determination of physicochemical properties, A.2 "Boiling temperature", EEC Publication No. L383, December 1992.
Boiling Point: 263 °C at 1018 hPa.
Executive summary:

The boiling temperature of the test item was determined by differential scanning calorimetry according to EEC-Directive 92/69 EEC, Part A, Methods for the determination of physicochemical

properties, A.2 "Boiling temperature", EEC Publication No. L383, December 1992 equals OECD guideline 103.

Boiling Point: 263 °C at 1018 hPa.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Guideline:
other: not known
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Type of method:
other: no data
Boiling pt.:
307 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: atmospheric pressure assumed to be 1013 hPa
Conclusions:
A reliable handbook value of 307 °C at 1013 hPa (atmospheric pressure is assumed to be 1013 hPa) is available.
Executive summary:

A reliable handbook value of 307 °C at 1013 hPa (atmospheric pressure is assumed to be 1013 hPa) is available.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Handbook data
Guideline:
other: not known
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Type of method:
other: no data
Boiling pt.:
338 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: atmospheric pressure assumed to be 1013 hPa
Conclusions:
A reliable handbook value of 338 °C at 1013 hPa (atmospheric pressure is assumed to be 1013 hPa) is available.
Executive summary:

A reliable handbook value of 338 °C at 1013 hPa (atmospheric pressure is assumed to be 1013 hPa) is available.

Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
1. SOFTWARE
EPI Suite v. 4.10 (US-EPA, 2000 -2008)

2. MODEL (incl. version number)
MPBPWIN v1.43 adapted Stein & Brown method)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Guideline:
other: MPBPWIN v1.43 adapted Stein & Brown method)
Principles of method if other than guideline:
Calculated with MPBPWIN v1.43 adapted Stein & Brown method (basis of the calculation is the Smiles code.
GLP compliance:
no
Type of method:
other: Calculation using EpiWin version 4.10.
Boiling pt.:
248.6 °C
Atm. press.:
1 013 hPa
Remarks on result:
other:
Remarks:
calculated with EpiWin version 1.43

MPBPVP (v1.43) Program Results:

===============================

CAS Number: 85005-57-8

SMILES : CC(C)CCCCCCOC(=O)C(C)=C

CHEM   :

MOL FOR: C13 H24 O2

MOL WT : 212.34

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

   Log Kow (octanol-water):   ------

   Boiling Point (deg C)  :   ------

   Melting Point (deg C)  :   ------

   Vapor Pressure (mm Hg) :   ------

   Water Solubility (mg/L):   ------

   Henry LC (atm-m3/mole) :   ------

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

   Boiling Pt (deg C):  248.60  (Adapted Stein & Brown method)

   Melting Pt (deg C):  3.11  (Mean or Weighted MP)

   VP(mm Hg,25 deg C):  0.0293  (Mean VP of Antoine & Grain methods)

   VP (Pa, 25 deg C) :  3.91  (Mean VP of Antoine & Grain methods)

Conclusions:
Using a valid estimation model (calculation using EpiWin version 4.10. (US EPA, 2008)) the calculated boiling point was 248.6 °C at 1013 hPa.
Executive summary:

Using a valid estimation model (calculation using EpiWin version 4.10. (US EPA, 2008)) the calculated boiling point was 248.6 °C at 1013 hPa.

NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.

Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
1. SOFTWARE
EPI Suite v. 4.10 (US-EPA, 2000 -2008)

2. MODEL (incl. version number)
MPBPWIN v1.43 adapted Stein & Brown method)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Guideline:
other: MPBPWIN v1.43 adapted Stein & Brown method)
Principles of method if other than guideline:
Calculated with MPBPWIN v1.43 adapted Stein & Brown method (basis of the calculation is the Smiles code.
GLP compliance:
no
Type of method:
other: Calculation using EpiWin version 4.10.
Boiling pt.:
259 °C
Atm. press.:
1 013 hPa
Remarks on result:
other:
Remarks:
calculated with EpiWin version 1.43

MPBPVP (v1.43) Program Results:

===============================

CAS Number: 2696-43-7

SMILES : CCCCCCCCCOC(=O)C(C)=C

CHEM   :

MOL FOR: C13 H24 O2

MOL WT : 212.34

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

   Log Kow (octanol-water):   ------

   Boiling Point (deg C)  :   ------

   Melting Point (deg C)  :   ------

   Vapor Pressure (mm Hg) :   ------

   Water Solubility (mg/L):   ------

   Henry LC (atm-m3/mole) :   ------

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

   Boiling Pt (deg C):  259.03  (Adapted Stein & Brown method)

   Melting Pt (deg C):  13.65  (Mean or Weighted MP)

   VP(mm Hg,25 deg C):  0.0168  (Mean VP of Antoine & Grain methods)

   VP (Pa, 25 deg C) :  2.24  (Mean VP of Antoine & Grain methods)

Conclusions:
Using a valid estimation model (calculation using EpiWin version 4.10. (US EPA, 2008)) the calculated boiling point was 259 °C at 1013 hPa.
Executive summary:

Using a valid estimation model (calculation using EpiWin version 4.10. (US EPA, 2008)) the calculated boiling point was 259 °C at 1013 hPa.

NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.

Description of key information

Read across to the individual substances n-Nonyl methacrylate, i-Nonyl methacrylate, n-Decyl methacrylate (n-DMA), i-Decyl methacrylate (i-DMA), n-Lauryl methacrylate (n-LMA) and n-Tetradecyl methacrylate (n-TDMA) of NUMA UVCB substance and structural analogue substances of NUMA 2 -Ethylhexyl methacrylate (2 -EHMA) and LIMA UVCB substance (C12 -C16 methacrylate, CAS: 90552 -02 -6):

The boiling temperature of the structural analogue 2-Ethylhexyl methacrylate showed a boiling point of 227.6 °C at 1013 hPa (calculated according Clausius Clapeyron equation from a measured vapour pressure diagram.).

n-decyl methacrylate showed a boiling point of 275.2 °C at 1013 hPa (calculated according Clausius Clapeyron equation from a measured vapour pressure diagram.)

The calculated boiling point of n-Nonyl methacrylate is 259 °C and 248.6 °C for i-Nonyl methacrylate (calculated with EpiWin 4.10 version 1.43)

For iso-decyl methacrylate a melting point of 263 °C at 1018 hPa was determined (experimental result according to OECD 103, no GLP).

For n-dodecyl methacrylate (only a low amount of NUMA UVCB substance) a boiling point of 307 °C (1013 hPa assumed) was published. (Brandes E., Möller W. (2003), Narbert, Schön (2005)).

For n-tetradecyl methacrylate (also only a low amount of NUMA UVCB substance) a boiling point of 338 °C (1013 hPa assumed) was published. (Brandes E., Möller W. (2003))

The physicochemical properties of the constituents of NUMA are showing a regular pattern. With increasing chain length, the boiling points increase. For NUMA UVCB substance a boiling point of > 249 °C at 1013 hPa was calculated as worst case assumption for risk assessment.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
249 °C

Additional information