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Physical & Chemical properties

Melting point / freezing point

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Reference
Endpoint:
melting point/freezing point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from modelling database developed by USEPA
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the freezing point of chemical
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material (as cited in study report): butyl 12-acetoxyoctadec-9-enoate
- Molecular formula : C24H44O4
- Molecular weight : 396.6076 g/mol
- Smiles notation : CCCCCC[C@H](C\C=C/CCCCCCCC(=O)OCCCC)OC(=O)C
- InChl : 1S/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-/t23-/m1/s1
- Substance type:Organic
- Physical state:Liquid
Key result
Melting / freezing pt.:
39.3 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the Freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 39.3 degree C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was predicted.

The Freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 39.3 degree C.

Description of key information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was predicted.

The Freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 39.3 degree C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
39.3 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was predicted.

The Freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 39.3 degree C.