3-nitrotoluene

Henry's Law constant

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

Henry's law constant

Type of information:

experimental study

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Original reference not available, only secondary literature

Principles of method if other than guideline:

Thermodynamic method

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): 3-Nitrotoluene
- Analytical purity: no data

H:

14 other: M atm-1

Temp.:

25 °C

Executive summary:

Betterton, 1992

The Henry´s law constant (HLC) was measured in water at 25 °C with the thermodynamic method and reported by Deno and Berkheimer (1960) as 14 M atm^-1.

Reference 2

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification

Principles of method if other than guideline:

HENRYWIN v.3.10, 2000, Bond-Method

GLP compliance:

no

H:

2.38 Pa m³/mol

Temp.:

25 °C

Bond-Method

Executive summary:

QSAR calculation (Bayer Industry Services, 2006):

The Henry's law constant's value was calculated with the software EPI Suite (HENRYWIN v.3.10, 2000). The QSAR calculation resulted in the following value (bond method): 2.38 Pa*m³/mol at 25°C.

Reference 3

Endpoint:

Henry's law constant

Type of information:

experimental study

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Principles of method if other than guideline:

Thermodynamic method according to Brunner et al. (1990) and Piringer and Skoeries (1984).

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): 1-Methyl-3-Nitrobenzene
- Analytical purity: no data

H:

0 dimensionless

Temp.:

25 °C

The dimensionless HLC is reported to be 0.00038, which corresponds to 0.94 Pa m3/mol.

Executive summary:

Altschuh, 1999

The Henry´s law constant (HLC) was measured at 25 °C with the thermodynamic method and HPLC/GC (thermodynamic method according to Brunner et al. (1990) and Piringer and Skoeries (1984)). The method consisted in using a concentration of o-toluidine of 200 mg/l. The dimensionless HLC is reported to be 0.00038 at 25 °C, which corresponds to 0.94 Pa m³/mol.

Description of key information

For transported isolated intermediates according to REACh, Article 18, this endpoint is not a data requirement. However, data is available for this endpoint and is thus reported under the guidance of "all available data".

Altschuh, 1999

The Henry´s law constant (HLC) was measured at 25 °C with the thermodynamic method and HPLC/GC (thermodynamic method according to Brunner et al. (1990) and Piringer and Skoeries (1984)). The method consisted in using a concentration of o-toluidine of 200 mg/l. The dimensionless HLC is reported to be 0.00038 at 25 °C, which corresponds to 0.94 Pa m³/mol.

Betterton, 1992

The Henry´s law constant (HLC) was measured in water at 25 °C with the thermodynamic method and reported by Deno and Berkheimer (1960) as 14 M atm^-1.

QSAR calculation (Bayer Industry Services, 2006):

The Henry's law constant's value was calculated with the software EPI Suite (HENRYWIN v.3.10, 2000). The QSAR calculation resulted in the following value (bond method): 2.38 Pa*m³/mol at 25°C.