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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other distribution data
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: Acceptable calculation method, but not yet validated

Data source

Reference
Reference Type:
other: Calculation
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation of volatilization from water based on calculated HLC (experimental VP/estimated water solubility; ECT, 2009)
GLP compliance:
no
Type of study:
volatility
Media:
water - air

Test material

Constituent 1
Chemical structure
Reference substance name:
Isobutyl acetate
EC Number:
203-745-1
EC Name:
Isobutyl acetate
Cas Number:
110-19-0
Molecular formula:
C6H12O2
IUPAC Name:
isobutyl acetate

Results and discussion

Any other information on results incl. tables

Henry's Law Constant (HLC) at 25 °C: 4.54E-04 atm*m³/mol = 46 Pa*m³/mol (Betterton, 1992)

Using this HLC and the conditions indicated below the following half-lives for volatilization from rivers and lakes were calculated:

 

River 

Lake

Water depth (m)

1

1

Wind velocity (m/sec)

5

0.5

Current velocity (m/sec)

1

0.05

Half-life (hours)

2.49

117.5

Half-life (days )

0.1037

4.897

Applicant's summary and conclusion

Conclusions:
An experimental Henry's Law Constant (HLC) of 46 Pa*m³/mol at 25 °C was reported from the EPI Suite v4.00 database. Taking this value, volatilization half-lives of 2.5 h and 118 h were estimated for a model river and a model lake, respectively.