Registration Dossier

Administrative data

Endpoint:
melting point/freezing 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

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
-15.84 °C
Atm. press.:
101.3 kPa
Remarks on result:
other: assume standard atmospheric pressure

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 --------------------

Melting Point:  -25.51 deg C (Adapted Joback Method)

Melting Point:   -6.17 deg C (Gold and Ogle Method)

Mean Melt Pt :  -15.84 deg C (Joback; Gold,Ogle Methods)

 Selected MP:  -15.84 deg C (Mean Value)

Applicant's summary and conclusion

Conclusions:
The melting point of the substance is estimated to be - 15.84 °C at 101.3 kPa, according to EPI-Suite v. 4.11 (MPBPVP v. 1.43).