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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Endpoint:
boiling point
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-1,3,2λ⁵-dioxaphospholan-2-one
Test material form:
liquid

Results and discussion

Boiling point
Key result
Boiling pt.:
184.08 °C
Atm. press.:
101.3 kPa

Any other information on results incl. tables

MPBPVP (v1.43) Program Results:

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

Experimental Database Structure Match:  no data

SMILES : O1P(=O)(CL)OCC1

CHEM   :

MOL FOR: C2 H4 CL1 O3 P1

MOL WT : 142.48

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

Boiling Point:  184.08 deg C (Adapted Stein and Brown Method)

Applicant's summary and conclusion

Conclusions:
The boiling point of the test substance is estimated to be 184 °C at 101.3 kPa, according to EPI-Suite v. 4.11 (MPBPVP v. 1.43).