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Environmental fate & pathways

Henry's Law constant

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Reference
Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
Calculated using HENRY Program v3.20. The bond contribution method is used for calculation.
GLP compliance:
no
H:
0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: calculation

Henry LC calculated on the basis of the Bond Contribution Method.

The calculated Henrys Law Constant was 2.37 *10-8 Pa*m3/mole.

Conclusions:
The Henrys Law Constant for MBTS was calculated to be 2.37 *10-8 Pa*m3/mole by using the Bond Contribution Method, therefore MBTS is essentially non-volatile.
Executive summary:

The Henrys Law Constant for MBTS (2.37 *10-8 Pa*m3/mole) was calculated by using the Bond Contribution Method (Currenta, 2010). Therefore MBTS is essentially non-volatile.

Description of key information

The Henrys Law Constant for MBTS (2.37 *10-8 Pa*m3/mole) was calculated by using the Bond Contribution Method (Currenta, 2010). Therefore MBTS is essentially non-volatile.Therefore MBTS is essentially non-volatile. The HLCs of the potential metabolites of MBTS, such as MBT, BT, BTon and MeSBT, are also lower than 1 Pa m3/mol and hence are also considered as non-volatile.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0
at the temperature of:
25 °C

Additional information