Registration Dossier

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 formally 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:
N-butyl acetate
EC Number:
204-658-1
EC Name:
N-butyl acetate
Cas Number:
123-86-4
Molecular formula:
C6H12O2
IUPAC Name:
butyl acetate

Results and discussion

Any other information on results incl. tables

Henry's Law Constant (HLC) at 25 °C: 2.81E-04 atm*m³/mol = 28.5 Pa*m³/mol (Kieckbusch & King, 1979)

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)

3.345

126.9

Half-life (days )

0.1394

5.286

Applicant's summary and conclusion

Conclusions:
An experimental Henry's Law Constant (HLC) of 28.5 Pa*m³/mol at 25 °C was reported from the EPI Suite v4.00 database. Taking this value, volatilization half-lives of 3.3 h and 127 h were estimated for a model river and a model lake, respectively.