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Physical & Chemical properties

Melting point / freezing point

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Endpoint:
melting point/freezing point
Type of information:
other: SDS
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Value originates from the SDS of CERAPHYL 31.
Principles of method if other than guideline:
No method specified
GLP compliance:
not specified
Type of method:
other: Data not available
Melting / freezing pt.:
>= -20 - <= -6.7 °C
Atm. press.:
1 atm
Endpoint:
melting point/freezing point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Values estimated with the Endpoint estimater in QSAR Toolbox.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on MPBPWIN (v1.43)
GLP compliance:
no
Type of method:
other: Adapted Joback Method
Melting / freezing pt.:
73.8 °C
Atm. press.:
1 atm

Propanoic acid 2-hydroxydodecyl ester:

MPBPWIN (v1.43) Program Results:

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

Experimental Database Structure Match: no data

SMILES : O=C(OCCCCCCCCCCCC)C(O)C

MOL FOR: C15 H30 O3

MOL WT : 258.40

------------------------ SUMMARY MPBPWIN v1.43 --------------------

Melting Point:  73.80 deg C (Adapted Joback Method)

Melting Point:  81.89 deg C (Gold and Ogle Method)

Mean Melt Pt :  77.84 deg C (Joback; Gold,Ogle Methods)

 Selected MP:  77.84 deg C (Mean Value)

 

Conclusions:
The melting point of 73.8 dC, estimated with the EPIWIN program for melting and boiling points (MPBPWIN v1.43), is significantly higher than expected based on the fact that the product is a liquid at room temperature. Hence, this value is not sufficiently reliable to be used as a key value.

Description of key information

Available data give rather different values for the substance with respect to the melting/freesing point. The appearance of the substance ranges from a viscous to a waxy liquid, which may explain a difference between melting and freezing point. It is decided to take the value from the QSAR Toolbox as the key value for freezing point.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
74 °C

Additional information