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Diss Factsheets

Administrative data

Endpoint:
Henry's law constant
Type of information:
other: calculation
Adequacy of study:
supporting study
Study period:
2010

Data source

Reference
Reference Type:
other: calculation
Title:
Henry' constant Law calculation
Author:
Guidance on information requirements and chemical safety assessment (IR & CSA) Chapter 16 "Environmental exposure estimate"
Year:
2010

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Henry's Law Constant equation: (vapour pressure*molecular weight)/(water solubility*1000)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-methylpentan-2-one
EC Number:
203-550-1
EC Name:
4-methylpentan-2-one
Cas Number:
108-10-1
Molecular formula:
C6H12O
IUPAC Name:
4-methylpentan-2-one
Details on test material:
Vapour pressure: 2640 Pa
Water solubility: 14.1 g/l at 20°C
Molecular weight: 100.16 g/mol

Results and discussion

Henry's Law constant H
H:
18.75 Pa m³/mol
Temp.:
20 °C
Atm. press.:
1 013.3 hPa
Remarks on result:
other: Standard temperature and pressure assumed.

Applicant's summary and conclusion

Conclusions:
The Henry's Law constant for tetrahydrothiophene has been calculated to be 18.75 Pa/m3.mol.
Executive summary:

The Henry's Law constant for MIBK has been calculated to be 18.75 Pa/m3.mol.