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EC number: 201-853-3 | CAS number: 88-72-2
Henry's Law constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- Henry's law constant
- Type of information:
- other: EU Risk Assessment
- Adequacy of study:
- other information
- Reliability:
- other: EU Risk Assessment
- Rationale for reliability incl. deficiencies:
- other: No reliability is given as this is a summary entry for the EU RAR.
- Principles of method if other than guideline:
- EU Risk Assessment
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Analytical purity: not specified
- Executive summary:
EU Risk Assessment (2008):
Several measured values, 5.673 Pa.m3/mol and 5.343 Pa.m3/mol, are mentioned in the SIDS Assessment Report of the OECD, 1994. The experimental dimensionless value given by Altschuh, J. et al. (1999), 5.1·10-4 will be used after conversion to the units needed by means of the equation 22 of the new Technical Guidance Document (TGD), giving a value of 1.2 Pa.m3/mol.
The volatilisation half-life of 2-nitrotoluene from 1 m deep water, flowing 1 m/s with a wind speed of 3 m/s, has been calculated to be 21 hours based on measured Henry's Law constant of 5.6 x10-5atm m3/mol at 25 ºC. A vapour pressure of 0.1 mmHg at 20 ºC for 2-nitrotoluene suggests that this compound will volatilise slowly from dry soil surfaces (OECD, 1994).
- Endpoint:
- Henry's law constant
- Type of information:
- other: BUA report
- Adequacy of study:
- other information
- Reliability:
- other: BUA report
- Rationale for reliability incl. deficiencies:
- other: No reliability is given as this is a summary entry for the BUA report.
- Principles of method if other than guideline:
- BUA report
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Analytical purity: not specified
- H:
- 6.1 Pa m³/mol
- Temp.:
- 20 °C
- Executive summary:
BUA Report, 1989:
The Henry's Law constant of 2-nitrotoluene was reported as 6.1 Pa.m³/mol at 20 °C.
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Principles of method if other than guideline:
- Method: other: calculated with HENRYWIN v. 3.10
- GLP compliance:
- no
- 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). The QSAR calculation resulted in the following value (bond method): 2.38 Pa*m³/mol at 25°C.
Referenceopen allclose all
EU Risk Assessment (2008):
Several measured values, 5.673 Pa.m3/mol and 5.343 Pa.m3/mol, are mentioned in the SIDS Assessment Report of the OECD, 1994. The experimental dimensionless value given by Altschuh, J. et al. (1999), 5.1·10 -4 will be used after conversion to the units needed by means of the equation 22 of the new Technical Guidance Document (TGD), giving a value of 1.2 Pa.m3/mol.
The volatilisation half-life of 2-nitrotoluene from 1 m deep water, flowing 1 m/s with a wind speed of 3 m/s, has been calculated to be 21 hours based on measured Henry's Law constant of 5.6 x10-5atm m3/mol at 25 ºC. A vapour pressure of 0.1 mmHg at 20 ºC for 2-nitrotoluene suggests that this compound will volatilise slowly from dry soil surfaces (OECD, 1994).
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".
EU Risk Assessment (2008):
Several measured values, 5.673 Pa.m3/mol and 5.343 Pa.m3/mol, are mentioned in the SIDS Assessment Report of the OECD, 1994. The experimental dimensionless value given by Altschuh, J. et al. (1999), 5.1·10-4 will be used after conversion to the units needed by means of the equation 22 of the new Technical Guidance Document (TGD), giving a value of 1.2 Pa.m3/mol.
The volatilisation half-life of 2-nitrotoluene from 1 m deep water, flowing 1 m/s with a wind speed of 3 m/s, has been calculated to be 21 hours based on measured Henry's Law constant of 5.6 x10-5atm m3/mol at 25 ºC. A vapour pressure of 0.1 mmHg at 20 ºC for 2-nitrotoluene suggests that this compound will volatilise slowly from dry soil surfaces (OECD, 1994).
BUA Report, 1989:
The Henry's Law constant of 2-nitrotoluene was reported as 6.1 Pa.m³/mol at 20 °C.
QSAR calculation (Bayer Industry Services, 2006):
The Henry's law constant's value was calculated with the software EPI Suite (HENRYWIN v. 3.10). The QSAR calculation resulted in the following value (bond method): 2.38 Pa*m³/mol at 25°C.
Key value for chemical safety assessment
Additional information
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