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EC number: 240-093-7 | CAS number: 15958-68-6
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 Melting point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- Specific details on test material used for the study:
- - Name of test material: 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione
- Molecular formula: C26H30N2O2
- Molecular weight: 402.535 g/mol
- Smiles notation: O=C1c2c(c(NC3CCCCC3)ccc2)C(=O)c2cccc(NC3CCCCC3)c12
- InChl: 1S/C26H30N2O2/c29-25-20-14-8-16-22(28-18-11-5-2-6-12-18)24(20)26(30)19-13-7-15-21(23(19)25)27-17-9-3-1-4-10-17/h7-8,13-18,27-28H,1-6,9-12H2
- Substance type: Organic
- Physical state: Solid - Key result
- Melting / freezing pt.:
- 239.01 °C
- Decomposition:
- no
- Sublimation:
- no
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43,the melting point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was estimated to be 239.01 Deg C.
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was predicted.
The melting point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was estimated to be 239.01 ˚C.
Reference
Description of key information
Based on prediction done using MPBPVP v1.43,the melting point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was estimated to be 239.01 Deg C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 239.01 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was predicted.
The melting point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was estimated to be 239.01 ˚C.
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