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EC number: 275-063-2 | CAS number: 70955-74-7
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:
- accepted calculation method
- Justification for type of information:
- Modelled information was provided as standard assays are not anticipated to work for this substance.
Data source
Reference
- Reference Type:
- other: Modelling Report
- Title:
- EPISuite Results for Diisotridecyl Phosphonate
- Author:
- U.S. EPA
- Year:
- 2 018
- Bibliographic source:
- EPISuite Model 4.1
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled data using accepted model.
- GLP compliance:
- no
- Type of method:
- other: modelled data
Test material
- Reference substance name:
- Diisotridecyl phosphonate
- EC Number:
- 275-063-2
- EC Name:
- Diisotridecyl phosphonate
- Cas Number:
- 70955-74-7
- Molecular formula:
- C26H55O3P
- IUPAC Name:
- diisotridecyl phosphonate
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- 0 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 : O=P(OCCC(C)CC(C)CC(C)CCC)OCCC(C)CC(C)CC(C)CCC
CHEM : Diisotridecyl Phosphonate
MOL FOR: C26 H55 O3 P1
MOL WT : 446.70
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 437.55 deg C (Adapted Stein and Brown Method)
Melting Point: 75.00 deg C (Adapted Joback Method)
Melting Point: 141.83 deg C (Gold and Ogle Method)
Mean Melt Pt : 108.41 deg C (Joback; Gold,Ogle Methods)
Selected MP: 86.14 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 437.55 deg C (estimated))
(Using MP: 86.14 deg C (estimated))
VP: 2.45E-008 mm Hg (Antoine Method)
: 3.26E-006 Pa (Antoine Method)
VP: 2.59E-007 mm Hg (Modified Grain Method)
: 3.45E-005 Pa (Modified Grain Method)
VP: 5.2E-007 mm Hg (Mackay Method)
: 6.93E-005 Pa (Mackay Method)
Selected VP: 2.59E-007 mm Hg (Modified Grain Method)
: 3.45E-005 Pa (Modified Grain Method)
Subcooled liquid VP: 9.99E-007 mm Hg (25 deg C, Mod-Grain method)
: 0.000133 Pa (25 deg C, Mod-Grain method)
Applicant's summary and conclusion
- Conclusions:
- Using the MPBPVP model v 1.43 in EPISUITE 4.11, the vapour pressure was estimated to be 2.59E-007 mm Hg, 3.45E-005 Pa (Modified Grain Method).
- Executive summary:
Using the MPBPVP model v 1.43 in EPISUITE 4.11, the following results were generated for vapour pressure:
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match: no data
SMILES : O=P(OCCC(C)CC(C)CC(C)CCC)OCCC(C)CC(C)CC(C)CCC
CHEM : Diisotridecyl Phosphonate
MOL FOR: C26 H55 O3 P1
MOL WT : 446.70
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 437.55 deg C (Adapted Stein and Brown Method)
Melting Point: 75.00 deg C (Adapted Joback Method)
Melting Point: 141.83 deg C (Gold and Ogle Method)
Mean Melt Pt : 108.41 deg C (Joback; Gold,Ogle Methods)
Selected MP: 86.14 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 437.55 deg C (estimated))
(Using MP: 86.14 deg C (estimated))
VP: 2.45E-008 mm Hg (Antoine Method)
: 3.26E-006 Pa (Antoine Method)
VP: 2.59E-007 mm Hg (Modified Grain Method)
: 3.45E-005 Pa (Modified Grain Method)
VP: 5.2E-007 mm Hg (Mackay Method)
: 6.93E-005 Pa (Mackay Method)
Selected VP: 2.59E-007 mm Hg (Modified Grain Method)
: 3.45E-005 Pa (Modified Grain Method)
Subcooled liquid VP: 9.99E-007 mm Hg (25 deg C, Mod-Grain method)
: 0.000133 Pa (25 deg C, Mod-Grain method)
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