4-(2-hydroxyethyl)-1-piperazinepropanesulphonic acid

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2021-03-01 to 2021-03-30

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Version / remarks:

2006

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Version / remarks:

2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: Knudsen cell

Key result

Temp.:

20 °C

Vapour pressure:

< 0.01 Pa

Remarks on result:

not determinable because of methodological limitations

No mass loss was observed under the test conditions. Therefore, it is concluded that the vapour pressure of the test item cannot be determined in the temperature range from 40 to 150 °C and the pressure range from 10E-03 to 1 Pa.

Conclusions:

The vapour pressure could not be determined under the testing conditions. Based on the accuracy of the measurement apparatus it is concluded that the vapour pressure of the test item is < 10E-3 Pa.

Executive summary:

An experimental study was conducted to determine the vapour pressure of the test item according to Regulation (EC) No 440/2008 Method A.4. and OECD Test Guideline 104 using the Effusion method: Knudsen cell. The measurement were performed in the temperature range from 40 to 150 °C. No mass loss was observed under the test conditions. Based on the accuracy of the measurement apparatus it is concluded that the vapour pressure of the test item is < 10E-3 Pa.

Reference 2

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2021-05-05

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Qualifier:

according to guideline

Guideline:

other: ECHA Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals

Version / remarks:

May 2008

Deviations:

no

GLP compliance:

no

Specific details on test material used for the study:

SMILES : OCCN1CCN(CCCS(=O)(O)=O)CC1

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: QSAR predicted value: The substance is within the applicability domain of the model.

Vapor Pressure Estimations (25 deg C):

(Using BP: 420.08 deg C (estimated))

(Using MP: 246.00 deg C (user entered))

VP: 8.67E-010 Pa  (Antoine Method)

VP: 1.01E-008 Pa  (Modified Grain Method)

VP: 4.83E-006 Pa  (Mackay Method)

Selected VP: 1.01E-008 Pa (Modified Grain Method)

Conclusions:

Using MPBPWIN v1.43 the vapour pressure of the test item was calculated to be 1.01E-8 Pa at 25 °C. The substance is within the applicability domain of the model.

Executive summary:

The vapour pressure was calculated using MPBPWIN v1.43 as part of EPISuite v4.11 from US Environmental Protection Agency.

Using using MPBPWIN v1.43 the vapour pressure of the test item was calculated to be 1.01E-8 Pa at 25 °C (EPI Suite, 2014).

 

The adequacy of a prediction depends on the following conditions:

a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;

b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;

c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;

d) the (Q)SAR model is relevant for the regulatory purpose.

 

For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.

 

Description of the prediction Model

The prediction model was descripted using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file. 

 

Assessment of estimation domain

The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.

Description of key information

The vapour pressure could not be determined under the testing conditions. Based on the accuracy of the measurement apparatus it is concluded that the vapour pressure of the test item is < 10E-3 Pa (reference 4.6-1).

Additional information

An experimental study was conducted to determine the vapour pressure of the test item according to Regulation (EC) No 440/2008 Method A.4. and OECD Test Guideline 104 using the Effusion method: Knudsen cell. The measurement were performed in the temperature range from 40 to 150 °C. No mass loss was observed under the test conditions. Based on the accuracy of the measurement apparatus it is concluded that the vapour pressure of the test item is < 10E-3 Pa.

Additionally, the vapour pressure was determined using the accepted QSAR model MPBPWIN v1.43. The vapour pressure of the test item was calculated to be 1.01E-8 Pa at 25 °C. The substance is within the applicability domain of the model (reference 4.6-2).