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EC number: 249-978-2 | CAS number: 29964-84-9
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- 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
- Remarks:
- Peer reviewed estimation.
- Principles of method if other than guideline:
- Calculation using EpiWin version 4.00.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.00
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.016 hPa
- Remarks on result:
- other: Calculation using EpiWin version 4.00.
- Temp.:
- 25 °C
- Vapour pressure:
- 0.018 hPa
- Remarks on result:
- other: Calculation using EpiWin version 4.00 and the measured physicochemical properties for Isodecyl methacrylate (199 µg/L water solubility, boiling point: 263°C, glass transition temperature: -116°C)
- Conclusions:
- A reliable calculated value for vapour pressure of the test substance is 0.0156 hPa at 25 °C.
- Executive summary:
A reliable calculated value for vapour pressure of the test substance is 0.0156 hPa at 25 °C.
Reference
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match:
Name : ISODECYL METHACRYLATE
CAS Num : 029964-84-9
Exp MP (deg C): ---
Exp BP (deg C): 126 @ 10 mm Hg
Exp VP (mm Hg): ---
SMILES : C=C(C)C(=O)OCCCCCCCC(C)C
CHEM : 2-Propenoic acid, 2-methyl-, isodecyl ester
MOL FOR: C14 H26 O2
MOL WT : 226.36
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 265.72 deg C (Adapted Stein and Brown Method)
Melting Point: -14.01 deg C (Adapted Joback Method)
Melting Point: 41.49 deg C (Gold and Ogle Method)
Mean Melt Pt : 13.74 deg C (Joback; Gold,Ogle Methods)
Selected MP: 13.74 deg C (Mean Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 265.72 deg C (estimated))
(MP not used for liquids)
VP: 0.0115 mm Hg (Antoine Method)
: 1.53 Pa (Antoine Method)
VP: 0.0118 mm Hg (Modified Grain Method)
: 1.57 Pa (Modified Grain Method)
VP: 0.0214 mm Hg (Mackay Method)
: 2.85 Pa (Mackay Method)
Selected VP: 0.0117 mm Hg (Mean of Antoine & Grain methods)
: 1.55 Pa (Mean of Antoine & Grain methods)
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 3 | -CH3 | 21.98 | 65.94
Group | 7 | -CH2- | 24.22 | 169.54
Group | 1 | >CH- | 11.86 | 11.86
Group | 1 | =CH2 | 16.44 | 16.44
Group | 1 | =C< | 23.58 | 23.58
Group | 1 | -COO- (ester) | 78.85 | 78.85
* | | Equation Constant | | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 564.39
RESULT- corr | BOILING POINT in deg Kelvin | 538.88
| BOILING POINT in deg C | 265.72
-------------------------------------------------------
-------+-----+--------------------+----------+---------
TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 3 | -CH3 | -5.10 | -15.30
Group | 7 | -CH2- | 11.27 | 78.89
Group | 1 | >CH- | 12.64 | 12.64
Group | 1 | =CH2 | -4.32 | -4.32
Group | 1 | =C< | 11.14 | 11.14
Group | 1 | -COO- (ester) | 53.60 | 53.60
* | | Equation Constant | | 122.50
=============+====================+==========+=========
RESULT | MELTING POINT in deg Kelvin | 259.15
| MELTING POINT in deg C | -14.01
-------------------------------------------------------
Second calculation with the measured physicochemical properties of Isodecyl methacrylate:
SMILES : C=C(C)C(=O)OCCCCCCCC(C)C
CHEM : 2-Propenoic acid, 2-methyl-, isodecyl ester
MOL FOR: C14 H26 O2
MOL WT : 226.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : 263.00
Melting Point (deg C) : -116.00
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match:
Name : ISODECYL METHACRYLATE
CAS Num : 029964-84-9
Exp MP (deg C): ---
Exp BP (deg C): 126 @ 10 mm Hg
Exp VP (mm Hg): ---
SMILES : C=C(C)C(=O)OCCCCCCCC(C)C
CHEM : 2-Propenoic acid, 2-methyl-, isodecyl ester
MOL FOR: C14 H26 O2
MOL WT : 226.36
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 265.72 deg C (Adapted Stein and Brown Method)
Melting Point: -14.01 deg C (Adapted Joback Method)
Melting Point: 41.49 deg C (Gold and Ogle Method)
Mean Melt Pt : 13.74 deg C (Joback; Gold,Ogle Methods)
Selected MP: 13.74 deg C (Mean Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 263.00 deg C (user entered))
(MP not used for liquids)
VP: 0.0134 mm Hg (Antoine Method)
: 1.79 Pa (Antoine Method)
VP: 0.0136 mm Hg (Modified Grain Method)
: 1.81 Pa (Modified Grain Method)
VP: 0.0245 mm Hg (Mackay Method)
: 3.27 Pa (Mackay Method)
Selected VP: 0.0135 mm Hg (Mean of Antoine & Grain methods)
: 1.8 Pa (Mean of Antoine & Grain methods)
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 3 | -CH3 | 21.98 | 65.94
Group | 7 | -CH2- | 24.22 | 169.54
Group | 1 | >CH- | 11.86 | 11.86
Group | 1 | =CH2 | 16.44 | 16.44
Group | 1 | =C< | 23.58 | 23.58
Group | 1 | -COO- (ester) | 78.85 | 78.85
* | | Equation Constant | | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 564.39
RESULT- corr | BOILING POINT in deg Kelvin | 538.88
| BOILING POINT in deg C | 265.72
-------------------------------------------------------
-------+-----+--------------------+----------+---------
TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 3 | -CH3 | -5.10 | -15.30
Group | 7 | -CH2- | 11.27 | 78.89
Group | 1 | >CH- | 12.64 | 12.64
Group | 1 | =CH2 | -4.32 | -4.32
Group | 1 | =C< | 11.14 | 11.14
Group | 1 | -COO- (ester) | 53.60 | 53.60
* | | Equation Constant | | 122.50
=============+====================+==========+=========
RESULT | MELTING POINT in deg Kelvin | 259.15
| MELTING POINT in deg C | -14.01
-------------------------------------------------------
Description of key information
The vapor pressure of Isodecyl methacrylate is 0.0156 hPa at 25°C (Calculation using EpiWin version 4.00).
Key value for chemical safety assessment
- Vapour pressure:
- 0.016 hPa
- at the temperature of:
- 25 °C
Additional information
Conclusion
The vapor pressure of Isodecyl methacrylate is 0.0156 hPa at 25°C (Calculation using EpiWin version 4.00). This value for the vapor pressure of Isodecylmethacrylate lies in the same order of magnitude as the measured and extrapolated value for the structural analog substance n- Decyl methacrylate (0.0127 hPa) at 20°C. The vapour pressure is following the general trend of decreasing vapor pressure with increasing ester size: 2 -Ethylhexyl methacrylate (0.065 hPa); Dodecyl methacrylate (0.06 Pa).
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