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EC number: - | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
- GLP compliance:
- not specified
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- CAS Number: 24817-92-3
SMILES : O=C(C(CC(=O)OCCCCCC)(CC(=O)OCCCCCC)OC(=O)C)OCCCCCC - Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- The vapour pressure of the substance was estimated to be 4.83E-7 Pa using MPBPVP (v1.43) of EPI-Suite (v4.11).
Reference
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match: no data
SMILES : O=C(C(CC(=O)OCCCCCC)(CC(=O)OCCCCCC)OC(=O)C)OCCCCCC
CHEM : 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl ester
MOL FOR: C26 H46 O8
MOL WT : 486.65
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 480.37 deg C (Adapted Stein and Brown Method)
Melting Point: 151.36 deg C (Adapted Joback Method)
Melting Point: 166.83 deg C (Gold and Ogle Method)
Mean Melt Pt : 159.09 deg C (Joback; Gold,Ogle Methods)
Selected MP: 159.09 deg C (Mean Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 480.37 deg C (estimated))
(Using MP: 159.09 deg C (estimated))
VP: 1.04E-010 mm Hg (Antoine Method)
: 1.39E-008 Pa (Antoine Method)
VP: 3.62E-009 mm Hg (Modified Grain Method)
: 4.83E-007 Pa (Modified Grain Method)
VP: 8.57E-009 mm Hg (Mackay Method)
: 1.14E-006 Pa (Mackay Method)
Selected VP: 3.62E-009 mm Hg (Modified Grain Method)
: 4.83E-007 Pa (Modified Grain Method)
Description of key information
4.83E-7 Pa (est.).
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
The volatility of the substance is very low.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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