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EC number: 203-344-1 | CAS number: 105-90-8
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: Estimated data
- Principles of method if other than guideline:
- MPBPVP v1.43 was used to estimate the freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- Specific details on test material used for the study:
- - Name of test material : (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate
- common name : Geranyl propionate
- Molecular formula : C13H22O2
- Molecular weight : 210.3148 g/mol
- Smiles notation : CCC(=O)OC\C=C(/C)\CCC=C(C)C
- InChl : 1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
- Substance type: Organic
- Physical state: Liquid - Key result
- Melting / freezing pt.:
- 4.53 °C
- Decomposition:
- no
- Sublimation:
- no
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43,the freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was estimated to be 4.53 Deg C.
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was predicted.
The freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was estimated to be 4.53 ˚C.
Reference
Description of key information
Based on prediction done using MPBPVP v1.43,the freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was estimated to be 4.53 Deg C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 4.53 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was predicted.
The freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was estimated to be 4.53 ˚C.
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