Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
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.

Data source

Reference
Reference Type:
other: (Q)SAR
Title:
Unnamed
Year:
2017

Materials and methods

Test guideline
Qualifier:
no guideline followed
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:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-chloro-1,3,2-dioxaphospholane 2-oxide
EC Number:
229-560-6
EC Name:
2-chloro-1,3,2-dioxaphospholane 2-oxide
Cas Number:
6609-64-9
Molecular formula:
C2H4ClO3P
IUPAC Name:
2-chloro-1,3,2lambda5-dioxaphospholan-2-one
Test material form:
liquid

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
106 Pa

Any other information on results incl. tables

MPBPVP (v1.43) Program Results:

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

Experimental Database Structure Match:  no data

MILES : O1P(=O)(CL)OCC1

CHEM   :

MOL FOR: C2 H4 CL1 O3 P1

MOL WT : 142.48

------------------------ SUMMARY MPBVP v1.43 --------------------

Vapor Pressure Estimations (25 deg C):

 (Using BP: 184.08 deg C (estimated))

 (MP not used for liquids)

   VP:  0.863 mm Hg (Antoine Method)

     :  115 Pa  (Antoine Method)

   VP:  0.72 mm Hg (Modified Grain Method)

     :  95.9 Pa  (Modified Grain Method)

   VP:  1.13 mm Hg (Mackay Method)

     :  151 Pa  (Mackay Method)

 Selected VP:  0.791 mm Hg (Mean of Antoine & Grain methods)

            :  106 Pa  (Mean of Antoine & Grain methods)

Applicant's summary and conclusion

Conclusions:
The estimated vapour pressure of the test substance is 106 Pa at 25 °C, according to EPI-Suite v.4.11, MPBPVP v.1.43.