Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 271-517-9 | CAS number: 68583-52-8
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Study period:
- November 21, 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Calaculated value from an acceptable method.
- Principles of method if other than guideline:
- Value calculated by an acceptable method.
- GLP compliance:
- no
- Type of method:
- other: Calculated value
- Temp.:
- 25 °C
- Vapour pressure:
- 0.137 Pa
- Remarks on result:
- other: Calculated value
- Remarks:
- Modified Grain Method
Reference
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match: no data
SMILES : CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC
CHEM : Decanoic acid, mixed diesters with octanoic acid and triethylene glyc
ol
MOL FOR: C24 H46 O6
MOL WT : 430.63
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 440.52 deg C (Adapted Stein and Brown Method)
Melting Point: 86.20 deg C (Adapted Joback Method)
Melting Point: 143.56 deg C (Gold and Ogle Method)
Mean Melt Pt : 114.88 deg C (Joback; Gold,Ogle Methods)
Selected MP: 95.76 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 312.00 deg C (user entered))
(MP not used for liquids)
VP: 0.000726 mm Hg (Antoine Method)
: 0.0968 Pa (Antoine Method)
VP: 0.00103 mm Hg (Modified Grain Method)
: 0.137 Pa (Modified Grain Method)
VP: 0.00197 mm Hg (Mackay Method)
: 0.263 Pa (Mackay Method)
Selected VP: 0.00103 mm Hg (Modified Grain Method)
: 0.137 Pa (Modified Grain Method)
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 2 | -CH3 | 21.98 | 43.96
Group | 20 | -CH2- | 24.22 | 484.40
Group | 2 | -O- (nonring) | 25.16 | 50.32
Group | 2 | -COO- (ester) | 78.85 | 157.70
Corr | 1 | Diester-type | -35.00 | -35.00
* | | Equation Constant | | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 899.56
RESULT- corr | BOILING POINT in deg Kelvin | 713.68
| BOILING POINT in deg C | 440.52
-------------------------------------------------------
-------+-----+--------------------+----------+---------
TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 2 | -CH3 | -5.10 | -10.20
Group | 20 | -CH2- | 11.27 | 225.40
Group | 2 | -O- (nonring) | 22.23 | 44.46
Group | 2 | -COO- (ester) | 53.60 | 107.20
Corr | 1 | Diester-type | -130.00 | -130.00
* | | Equation Constant | | 122.50
=============+====================+==========+=========
RESULT | MELTING POINT in deg Kelvin | 359.36
| MELTING POINT in deg C | 86.20
-------------------------------------------------------
Description of key information
Vapor pressure data are available for two read-across chemicals. These chemicals are included in the Glycol Esters Category submitted by the American Chemistry Council for the U.S. Environmental Protection Agency as a contribution to the U.S. EPA High Production Volume Chemical Program. All members of this category have similar molecular structure and functional groups. The functional groups in common are aliphatic ester groups and glycol ether groups. The glycol ether groups, joined together in one to four units, are end-capped with aliphatic acids via ester groups. The selected read-across chemicals most closely matches in structure the subject registration substance. The low vapor pressure of the read-across chemical is consistent with its high boiling point.
The MPBPWIN module (v1.43) of the U.S. EPA EpiSuite program (Copyright 2000 -2012) was used to calculate a vapor pressure for the subject chemical. The value obtained bu this method was 0.137 Pa (Modified Grain Method) and is consistent with the values for the other similar read-across chemical.
Key value for chemical safety assessment
- Vapour pressure:
- 0.137 Pa
- at the temperature of:
- 25 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
