2-(2-butoxyethoxy)ethyl acetate

Henry's Law constant

Administrative data

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Model considered reliable by OECD

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

review article or handbook

Title:

Users's guide for EPIWIN, version 3.05

Author:

Meylan W

Year:

2000

Bibliographic source:

Syracuse Corporation, North Syracuse, NY

Materials and methods

Test material

Test material information

Constituent 1

Reference substance name:

2-(2-butoxyethoxy)ethyl acetate

EC Number:

204-685-9

EC Name:

2-(2-butoxyethoxy)ethyl acetate

Cas Number:

124-17-4

Molecular formula:

C10H20O4

IUPAC Name:

2-(2-butoxyethoxy)ethyl acetate

Results and discussion

Any other information on results incl. tables

Henry's law constant (25°C) calculated with HENRYWIN v.3.10.

Bond method: 9.91e-8 atm.m3/mol = 0.0101 Pa.m3/mol (4.05e-6 unitless)

Group method: 1.44e-9 atm.m3/mol = 0.000146 Pa.m3/mol (5.89e-8 unitless)

Average=0.005Pa.m3/mol, which is also very close to the value derived from the figures for water solubility and vapour pressure cited in chapter 4.

Applicant's summary and conclusion

Executive summary:

There is no experimentally derived value for the Henry's constant available. Calculated values vary by almost two orders of magnitude between 0.0001 and 0.01Pa.m3/mol. A figure of 0.004Pa.m3/mol can be derived from the figures cited for vapour pressure and water solubility in this dossier. Overall, a value of 0.005Pa.m3/mol is used.