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EC number: 263-793-4 | CAS number: 63022-06-0
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling 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 Boiling point of chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- Specific details on test material used for the study:
- Name of the test chemical: C.I. pigment red 81:5
IUPAC Name: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate
Molecular formula: C112H124MoN8O19Si
Molecular weight: 2010.25066 g/mol
Smiles Notation:
InChI:
Substance Type: Organic
Physical State: Solid Pink-Red Powder - Key result
- Boiling pt.:
- 600.02 °C
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43,the Boiling point of chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate was estimated to be 600.02 ˚C
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate was predicted.
The boiling point of chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate was estimated to be 600.02 ˚C
Reference
Description of key information
Based on prediction done using MPBPVP v1.43,the Boiling point of chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate was estimated to be 600.02 ˚C
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 600.02 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate was predicted.
The boiling point of chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate was estimated to be 600.02 ˚C
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