Registration Dossier
Registration Dossier
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EC number: 919-276-7 | CAS number: -
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Modelled data provided. Sufficient for assessment.
Data source
Reference
- Reference Type:
- other: modelled data
- Title:
- EPISUITE 4.1 Results for F-37
- Author:
- U.S. EPA
- Year:
- 2 018
- Bibliographic source:
- U.S. EPA
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled results using acceptable model.
- GLP compliance:
- no
- Type of method:
- other: Modelled data
Test material
- Reference substance name:
- n-phenyl n-acetoacetyl glycine ethyl ester
- IUPAC Name:
- n-phenyl n-acetoacetyl glycine ethyl ester
- Test material form:
- liquid
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- 0.003 Pa
- Remarks on result:
- not measured/tested
Any other information on results incl. tables
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match: no data
SMILES : CC(=O)CC(=O)N(CC(=O)OCC)c1ccccc1
CHEM : F-37
MOL FOR: C14 H17 N1 O4
MOL WT : 263.30
------------------------ SUMMARY MPBVP v1.43 --------------------
Vapor Pressure Estimations (25 deg C):
(Using BP: 383.89 deg C (estimated))
(Using MP: 134.72 deg C (estimated))
VP: 4.56E-007 mm Hg (Antoine Method)
: 6.08E-005 Pa (Antoine Method)
VP: 1.61E-006 mm Hg (Modified Grain Method)
: 0.000215 Pa (Modified Grain Method)
VP: 3.41E-006 mm Hg (Mackay Method)
: 0.000454 Pa (Mackay Method)
Selected VP: 1.61E-006 mm Hg (Modified Grain Method)
: 0.000215 Pa (Modified Grain Method)
Subcooled liquid VP: 2.04E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00272 Pa (25 deg C, Mod-Grain method)
Applicant's summary and conclusion
- Conclusions:
- The estimated vapour pressure is 0.00272 Pa (25 deg C, Mod-Grain method).
- Executive summary:
The vapour pressure was estimated using EPISUITE. The modeling results as follows.
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match: no data
SMILES : CC(=O)CC(=O)N(CC(=O)OCC)c1ccccc1
CHEM : F-37
MOL FOR: C14 H17 N1 O4
MOL WT : 263.30
------------------------ SUMMARY MPBVP v1.43 --------------------
Vapor Pressure Estimations (25 deg C):
(Using BP: 383.89 deg C (estimated))
(Using MP: 134.72 deg C (estimated))
VP: 4.56E-007 mm Hg (Antoine Method)
: 6.08E-005 Pa (Antoine Method)
VP: 1.61E-006 mm Hg (Modified Grain Method)
: 0.000215 Pa (Modified Grain Method)
VP: 3.41E-006 mm Hg (Mackay Method)
: 0.000454 Pa (Mackay Method)
Selected VP: 1.61E-006 mm Hg (Modified Grain Method)
: 0.000215 Pa (Modified Grain Method)
Subcooled liquid VP: 2.04E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00272 Pa (25 deg C, Mod-Grain method)
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