Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: US EPA accepted QSAR method for organic chemicals properties assessment
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2009

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR
Principles of method if other than guideline:
HENRYWIN v.3.20 (US EPA, EPI Suite v 4.00)
GLP compliance:
no
Remarks:
not applicable to QSAR models

Test material

Constituent 1
Chemical structure
Reference substance name:
Tributyl phosphate
EC Number:
204-800-2
EC Name:
Tributyl phosphate
Cas Number:
126-73-8
Molecular formula:
C12H27O4P
IUPAC Name:
tributyl phosphate

Results and discussion

Any other information on results incl. tables

Overview of QSARs estimations on Henry’s law constant (HLC) of tributyl phosphate

 

Method

 

Results

Remarks

Reference

QSAR estimate

=3.19 x 10-6 atm-m3/mole

=0.323 Pa-m3/ mole (Henry’s law constant at 25 deg. C; Bond Estimation Method)

Valid with restrictions (2); QSAR method;

Estimated values

HENRYWIN v.3.20

(US EPA, EPI Suite v 4.00)

Applicant's summary and conclusion

Conclusions:
The estimated value on HLC of tributyl phosphate 0.323 Pa-m3/mole obtained from the application of US EPA developed HENRYWIN software will be used for the purpose of this CSR.