Registration Dossier
Registration Dossier
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EC number: 609-030-4 | CAS number: 34825-99-5
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH datagaps.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- US EPA EPI Suite Estimation
- GLP compliance:
- no
- Remarks:
- US EPA EPI Suite Estimation
- Type of method:
- other: US EPA EPI Suite Estimation
Test material
- Reference substance name:
- 2-(diphenylphosphanyl)benzonitrile
- Cas Number:
- 34825-99-5
- Molecular formula:
- C19H14NP
- IUPAC Name:
- 2-(diphenylphosphanyl)benzonitrile
- Test material form:
- not specified
- Details on test material:
- SMILES : C(#N)c2ccccc2P(c3ccccc3)c1ccccc1
MOL FOR: C19 H14 N1 P1
MOL WT : 287.30
Constituent 1
Results and discussion
Boiling point
- Boiling pt.:
- ca. 421.48 °C
- Remarks on result:
- other: US EPA EPI Suite Estimation
Any other information on results incl. tables
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 421.48 (Adapted Stein & Brown method)
Melting Pt (deg C): 155.34 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.16E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 1.54E-005 (Modified Grain method)
Subcooled liquid VP: 2.48E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000331 Pa (25 deg C, Mod-Grain method)
Applicant's summary and conclusion
- Conclusions:
- The boiling point of 2-(diphenylphosphino)benzonitrile is estimated at 421.48 °C
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