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EC number: 200-655-4 | CAS number: 67-48-1
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2 JUN 2022
- 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
- Justification for type of information:
- 1. SOFTWARE
OECD QSAR toolbox v4.5
2. MODEL (incl. version number)
MPBPWIN v1.44
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CN(CL)(C)(C)CCO
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the QMRF attached under 'Attached justification'.
5. APPLICABILITY DOMAIN
Please refer to the QPRF attached under 'Attached justification'. - Guideline:
- other: REACH guidance on QSAR R.6
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- Software tool(s) used including version: OECD QSAR toolbox v4.5, EPI Suite v4.11
- Model(s) used: MPBPWIN v1.44
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' - Specific details on test material used for the study:
- CN(CL)(C)(C)CCO
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Modified Grain Method (6.57 E-8)
- Temp.:
- 25 °C
- Vapour pressure:
- 2 287.2 Pa
- Remarks on result:
- other: calculated for 75 % aqueous solution of choline chloride using Raoult´s law and an experimental vapor pressure value for water of 3172.5 Pa at 25 °C
- Conclusions:
- Vapour pressure of test item was calculated to be 6.57E-8 Pa using Modified Grain method in US-EPA software MPBPWIN v1.44.
- Executive summary:
Vapour pressure of test item was calculated to be 6.57E-8 Pa using Modified Grain method in US-EPA software MPBPWIN v1.44.
The vapour pressure of a 75 % aqueous solution of choline chloride at 25 °C was calculated according Raoult´s law using an experimental vapour pressure for water of 3172.5 Pa at 25 °C via mole fractions to be 2287.2 Pa.
Reference
The vapour pressure of the 75 % aqueous solution of choline chloride was calculated according Raoult´s law using a vapour pressure for water of 3172.5 Pa at 25 °C via mole fractions. In a 75 % aqueous solution of choline chloride, the mole fractions are:
0.2791 (choline chloride)
0.7209 (water)
Hence, the vapour pressure of a 75 % aqueous solution of choline chloride at 25 °C can be calculated as:
VP =6.57 * E-8 Pa *0.2791 + 3172.5 Pa * 0.7209 = 2287.2 Pa
Description of key information
Vapour pressure of test item was calculated to be 6.57E-8 Pa using Modified Grain method in US-EPA software MPBPWIN v1.44.
The vapour pressure of a 75 % aqueous solution of choline chloride at 25 °C was calculated according Raoult´s law using an experimental vapour pressure for water of 3172.5 Pa at 25 °C via mole fractions. The vapour pressure of the aqueous solution amounts to 2287.2 Pa.
Key value for chemical safety assessment
- at the temperature of:
- 25 °C
Additional information
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