3-nitrotoluene

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

Only secondary literature

Justification for type of information:

Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.

Principles of method if other than guideline:

Beilstein Database

GLP compliance:

not specified

Specific details on test material used for the study:

- Analytical purity: no data

Temp.:

23 °C

Vapour pressure:

0.34 Torr

Remarks on result:

other: =45.3 Pa=0.453 hPa=0.0453 kPa

no further information

Executive summary:

Beilstein, 2009

The vapour pressure of 3-nitrotoluene at 23 °C was reported as 45.3 Pa (0.453 hPa, 0.0453 kPa, 0.34 Torr).

Reference 2

Endpoint:

vapour pressure

Type of information:

calculation (if not (Q)SAR)

Remarks:

estimated by calculation

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

accepted calculation method

Remarks:

Data from peer-reviewed handbook or collection of data; accepted calculation method

Justification for type of information:

Due to insufficient documentation, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks, collection of data and calculated data provide experimental values in a similar range, supporting the reliability of the result.

Principles of method if other than guideline:

Yaws Chemical Properties Handbook

GLP compliance:

not specified

Type of method:

other: estimated

Temp.:

25 °C

Vapour pressure:

0.276 hPa

The value for 25 °C (298.15 K) is calculated with the following equation (in appendix C: Coefficients for vapour pressure equation):
log P = A + B/T + C log T + D T + E T² (P - mm Hg, T - K),
where A = 12.1169
B = - 2.7684E+03
C = - 1.4768E+00
D = 4.6539E-04
E = - 1.8362E-14
log P = - 0.683 P = 0.207 (mm Hg)

Executive summary:

Yaws, C. L., 1994

The vapour pressure of 3-nitrotoluene is estimated from a logarithmic model depending on five coefficients at a certain temperature. The vapour pressure at 25 °C was determined as 0.276 hPa.

Reference 3

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.

Principles of method if other than guideline:

secondary peer reviewed source, valid collection of data

GLP compliance:

not specified

Specific details on test material used for the study:

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

Temp.:

20 °C

Vapour pressure:

19.9 Pa

Remarks on result:

other: =0.199 hPa= 0.0199 kPa

no further information

Executive summary:

Hommel, 1997

The vapour pressure of 3-nitrotoluene at 20 °C was reported as 19.9 Pa (0.199 hPa, 0.0199 kPa).

Reference 4

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.

Principles of method if other than guideline:

secondary peer reviewed source, valid collection of data

GLP compliance:

not specified

Type of method:

other: no data

Specific details on test material used for the study:

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

Temp.:

20 °C

Vapour pressure:

16 Pa

Remarks on result:

other: =0.16 hPa= 0.016 kPa

no further information

Executive summary:

Roempp, 2009

The vapour pressure of 3-nitrotoluene at 20 °C was reported as 16 Pa (0.16 hPa, 0.016 kPa).

Description of key information

The individual study reports (data from handbooks or collection of data) show some deficiencies with respect to the comprehensiveness of the experimental details. Therefore, a reliability of 1 or 2 and thus adequacy as key study was not assignable for any of the individual studies. Consequently, the studies were assigned a Klimisch score of 4 (according to guidance document R.4, ‘not assignable: studies or data […] which are only listed in short abstracts or secondary literature (books, reviews, etc.)). As the individual studies report values are in a similar range, collectively, these studies can be used to conclude on this endpoint and to satisfy the information requirement.

The vapour pressure of 3-nitrotoluene was determined in a series of experimental studies and was calculated from the vapour pressure equation. The values are in a similar range (16-19.9 Pa at 20 °C; 27.6 Pa at 25 °C (calculated value); 45.3 Pa at 23 °C).

Roempp, 2009

The vapour pressure of 3-nitrotoluene at 20 °C was reported as 16 Pa (0.16 hPa, 0.016 kPa).

Hommel, 1997

The vapour pressure of 3-nitrotoluene at 20 °C was reported as 19.9 Pa (0.199 hPa, 0.0199 kPa).

Yaws, C. L., 1994

The vapour pressure of 3-nitrotoluene is estimated from a logarithmic model depending on five coefficients at a certain temperature. The vapour pressure at 25 °C was determined as 0.276 hPa.

Beilstein, 2009

The vapour pressure of 3-nitrotoluene at 23 °C was reported as 45.3 Pa (0.453 hPa, 0.0453 kPa, 0.34 Torr).

The value reported by Roempp was chosen as key value for chemical safety assessment.

Key value for chemical safety assessment

Vapour pressure:

16 Pa

at the temperature of:

20 °C