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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
other: calculation
Title:
CAS 2150-46-1; EPI Suite Results For CAS
Author:
US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC).
Bibliographic source:
EPI Suite version 4.11, Copyright 2000-2012 United States Environmental Protection Agency for EPI SuiteTM., online query 11.07.2017

Materials and methods

Principles of method if other than guideline:
The calculation was based on Modified Grain Method using recommended MPBPVP (v1.43) module of software EPI Suite v.4.11.
This QSPR software complies with the OECD principles which stated in “QSPR prediction of physico-chemical properties for REACH” and was published in the SAR and QSAR in Environment Research in 2013 (Dearden, J.C., Rotureau, P., Fayet G. (2013). QSPR prediction of physico-chemical properties for REACH, SAR and QSAR in Environmental Research, Vol. 24, No.4, 279-318).
GLP compliance:
no
Type of method:
other: calculation

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0.008 Pa
Remarks on result:
other: Modified Grain Method

Any other information on results incl. tables

MPBPVP (v1.43) Program Results:

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

SMILES : COC(=O)c1cc(O)ccc1O

MOL FOR: C8 H8 O4

MOL WT : 168.15

 

Vapor Pressure Estimations (25 deg C):

(Using BP: 300.29 deg C (estimated))

(Using MP: 86.00 deg C (user entered))

VP

 4.73E-005 mm Hg (Antoine Method)

 

 0.0063 Pa (Antoine Method)

VP

 6.32E-005 mm Hg (Modified Grain Method)

 

 0.00843 Pa (Modified Grain Method)

VP

 0.000903 mm Hg (Mackay Method)

 

 0.12 Pa (Mackay Method)

Selected VP

 6.32E-005 mm Hg (Modified Grain Method)

 

 0.00843 Pa (Modified Grain Method)

Subcooled liquid VP

 0.000243 mm Hg (25 deg C, Mod-Grain method)

 

 0.0324 Pa (25 deg C, Mod-Grain method)

Applicant's summary and conclusion

Conclusions:
The vapour pressure of test substance was estimated to be  0.00843 Pa at 25°C