N-cyclohexylbenzothiazole-2-sulfenamide

Henry's Law constant

Link to relevant study record(s)

Reference

Endpoint:

Henry's law constant

Type of information:

calculation (if not (Q)SAR)

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Principles of method if other than guideline:

The Henry’s law constant (HLC) is directly calculated as the ratio of the vapor pressure to the water solubility (experimental values).

GLP compliance:

no

Key result

H:

< 0 other: hPam³/mol

Remarks on result:

other: calculated value, no temperature and pressure measured

at ambient temperature (e.g. 21 -25°C)

Executive summary:

The Henry's law constant of N-cyclohexylbenzothiazole-2-sulphenamide is <3.74*10^-4 hPa m³/mol, which was directly estimated as the ratio between the vapour pressure and water solubility (Currenta, 2021). 

Description of key information

The Henry's law constant (HLC) of N-cyclohexylbenzothiazole-2-sulphenamide (CBS) is lower than 3.74*10-4 hPa m3/mol at ambient temperature (e. g. 21 -25°C), which is directly estimated as the ratio between the vapour pressure and water solubility (Currenta, 2021). Therefore CBS is essentially non-volatile. Most of the described metabolites of CBS, such as MBT, MBTS, BTon, BT, and MeSBT are are also non-volative, but only MeBT has an estimated HLC of 2.75 Pa m3/mol, which is higher than 1 Pa m3/mol and hence considered as slightly volatile.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):

0

at the temperature of:

23 °C