N-butyl acetate

Other distribution data

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

Test material information

Constituent 1

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.