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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
Reference:
Composition 1
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Frezing point of chemical
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: 1,1-diethoxy-3,7-dimethylocta-2,6-diene
- Molecular formula : C14H26O2
- Molecular weight : 226.357
- Smiles notation : C(\C=C(\CC\C=C(/C)C)C)(OCC)OCC
- InChl : 1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
- Substance type:Organic
- Physical state: Liquid
Key result
Melting / freezing pt.:
4.78 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the freezing point of chemical 1,1-diethoxy-3,7-dimethylocta-2,6-diene was estimated to be 4.78 degree C.
Executive summary:

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

The freezing point of chemical 1,1-diethoxy-3,7-dimethylocta-2,6-dienewas estimated to be 4.78˚C

Description of key information

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

The freezing point of chemical 1,1-diethoxy-3,7-dimethylocta-2,6-dienewas estimated to be 4.78˚C

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
4.78 °C

Additional information

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

The freezing point of chemical 1,1-diethoxy-3,7-dimethylocta-2,6-dienewas estimated to be 4.78˚C

Other supporting study from review article also indicates that the freezing point of chemical 1,1-diethoxy-3,7-dimethylocta-2,6-diene was estimated to be 5 degree C,which is very close to selected key study value.