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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): 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate
- Molecular formula: C14H24O2
- Molecular weight: 224.342 g/mol
- Smiles notation : C(OC\C=C(\CC\C=C(/C)C)C)(C(C)C)=O
- InChl : 1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
- Substance type:Organic
- Physical state: Liquid
Key result
Melting / freezing pt.:
4.57 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the freezing point of chemical 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was estimated to be 4.57 degree C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of chemical 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was predicted.

The melting point of chemical 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was estimated to be 4.57 ˚C

Description of key information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of chemical 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was predicted.

The melting point of chemical 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was estimated to be 4.57 ˚C

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
4.57 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of chemical 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was predicted.

The melting point of chemical 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was estimated to be 4.57 ˚C