4-nitrotoluene

Henry's Law constant

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

Henry's law constant

Type of information:

other: BUA report

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

secondary literature

Principles of method if other than guideline:

BUA report

GLP compliance:

not specified

H:

5.2 Pa m³/mol

Temp.:

20 °C

BUA report

Executive summary:

BUA report 41, 1989

The Henry's law constant's value for 4-nitrotoluene was reported as: 5.2 Pa*m³/mol at 20°C.

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

Remarks:

Original reference is not available.

Principles of method if other than guideline:

other: Calculation of Henry's Law Constant with SRC-HENRYWIN v. 3.10, 2000

GLP compliance:

not specified

H:

2.38 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Bond method

H:

4.83 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Group method

Executive summary:

SRC-HENRYWIN v. 3.10, 2000 (Bayer AG, 2002)

The Henry's law constant's value was calculated with the software EPI Suite (SRC-HENRYWIN v. 3.10, 2000). The QSAR calculation resulted in the following values: 2.38 Pa*m³/mol (bond method) and 4.83 Pa*m³/mol (group method) 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:

other: Thermodynamic column method according to Brunner et al. (1990).

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): 1-Methyl-4-Nitrobenzene
- Analytical purity: no data

H:

0 dimensionless

Temp.:

25 °C

The dimensionless HLC is reported to be 0.00023 (25°C), which corresponds to 0.57 Pa m3/mol (25°C).

Executive summary:

Altschuh, 1999

The Henry´s law constant (HLC) of 4-nitrotoluene was measured at 25 °C with the thermodynamic method and HPLC/GC (thermodynamic method according to Brunner et al. (1990). The dimensionless HLC is reported to be 0.00023 (25°C), which corresponds to 0.57 Pa m3/mol (25°C). 

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) of 4-nitrotoluene was measured at 25 °C with the thermodynamic method and HPLC/GC (thermodynamic method according to Brunner et al. (1990). The dimensionless HLC is reported to be 0.00023 (25°C), which corresponds to 0.57 Pa m3/mol (25°C). 

SRC-HENRYWIN v. 3.10, 2000 (Bayer AG, 2002)

The Henry's law constant's value was calculated with the software EPI Suite (SRC-HENRYWIN v. 3.10, 2000). The QSAR calculation resulted in the following values: 2.38 Pa*m³/mol (bond method) and 4.83 Pa*m³/mol (group method) at 25°C.

BUA report 41, 1989

The Henry's law constant's value for 4-nitrotoluene was reported as: 5.2 Pa*m³/mol at 20°C.