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EC number: 231-323-7 | CAS number: 7492-66-2
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- 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
- 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
- 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
Reference
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.
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