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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: accepted calculation method

Data source

Reference
Reference Type:
other company data
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 according to Thomas RG (1990, Volatilization from water.  In: Handbook of Chemical Property Estimation Methods.  Lyman, W.J. et al. (eds), Washington, DC: American Chemical Society,  Chapter 15) based on a measured HLC (Khan and Brimblecombe 1992, see Chapt. 5.4.2)
Type of study:
other: calculation method
Media:
water - air

Test material

Constituent 1
Chemical structure
Reference substance name:
Butyric acid
EC Number:
203-532-3
EC Name:
Butyric acid
Cas Number:
107-92-6
Molecular formula:
C4H8O2
IUPAC Name:
butyric acid
Details on test material:
- Name of test material (as cited in study report): Butanoic acid

Results and discussion

Any other information on results incl. tables

Henry's Law Constant (HLC) at 25°C: 5.35E-07 atm*m³/mol = 0.0542 Pa*m³/mol (exp. value from US EPA/SRC database: Butler JVA and Ramchandani CN, 1935)

 

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 [hr]

1028 

11,300 

Half-Life [d]

42.84 

470.6 

Half-Life [y]

 

1.29 

Applicant's summary and conclusion

Conclusions:
An experimental Henry's Law Constant (HLC) of 0.0542 Pa*m³/mol at 25 °C was reported from the EPIWIN database. Taking this value, butyric acid volatilization half-lives of 43 and 471 days were estimated for a model river and a model lake, respectively.