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EC number: 701-338-8 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- This study was conducted on 2,5-furandione, dihydro-, mono-C15- 20-alkenyl derivatives (CAS 68784-12-3), an analogue substance used as the source of information for the assessment of the target substance through read-across. Therefore, this study is informative for evaluation of the environmental fate and toxicity of the target substance, Reaction products of furan-2,5-dione and octadec-1-ene (known here as n-ODSA EC 701-338-8; no CASRN available), and it is adequate for classification and risk assessment.
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- dynamic method
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- < 0 hPa
- Remarks on result:
- other: calculated from the regression curve
- Key result
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- < 0 hPa
- Remarks on result:
- other: calculated from the regression curve
- Key result
- Test no.:
- #3
- Temp.:
- 50 °C
- Vapour pressure:
- 0 hPa
- Remarks on result:
- other: calculated from the regression curve
- Conclusions:
- The vapour pressure of the C15-20 ASA analogue substance is < 1 x 10-6 hPa at 20°C and 25°C and 6.2 x 10-6 hPa at 50°C. This study is informative for evaluation of physico-chemical properties of the target substance, n-ODSA EC 701-338-8, and is adequate for classification and risk assessment.
- Executive summary:
The vapour pressure of the analogue substance was tested in accordance with OECD guideline 104 and found to be <1x10-6 hPa at 20°C and 25°C, and 6.2 x 10-6 hPa at 50°C, respectively. This study is informative for evaluation of physico-chemical properties of n-ODSA EC 701-338-8 using a read-across approach, and is adequate for classification and risk assessment.
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- estimated using EPI Suite™, part of the OECD (Q)SAR Toolbox
- GLP compliance:
- no
- Type of method:
- other: estimated using EPI Suite™
- Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- > 0 - < 0 Pa
- Remarks on result:
- other: estimated
- Conclusions:
- The vapour pressure of the main component of n-ODSA EC 701-338-8 is estimated by EPI Suite™ version 4.11 to be low, between 0.000154 and 0.00033 Pa at 25 degrees C.
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- dynamic method
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- < 0 hPa
- Remarks on result:
- other: calculated from the regression curve
- Key result
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- < 0 hPa
- Remarks on result:
- other: calculated from the regression curve
- Key result
- Test no.:
- #3
- Temp.:
- 50 °C
- Vapour pressure:
- 0 hPa
- Remarks on result:
- other: calculated from the regression curve
- Conclusions:
- The vapour pressure of the C15-20 ASA test substance is < 1 x 10-6 hPa at 20°C and 25°C and 6.2 x 10-6 hPa at 50°C. This study is informative for evaluation of physico-chemical properties of n-ODSA, and is adequate for classification and risk assessment.
- Executive summary:
The vapour pressure of a structural analogue substance was tested in accordance with OECD guideline 104 and found to be <1x10-6 hPa at 20°C and 25°C and 6.2 x 10-6 hPa at 50°C, respectively. This study is informative for evaluation of physico-chemical properties of n-ODSA, and is adequate for filling of data gaps and for classification and risk assessment.
Referenceopen allclose all
Results:
| Temperature (°C) | Vapour pressure (hPa) | |
| cell 3 | cell 7 | |
| 41.8 | 2.14 x 10-6 | 2.07 x 10-6 |
| 51.9 | 7.34 x 10-6 | 7.53 x 10-6 |
| 64.0 | 3.44 x 10-5 | 3.59 x 10-5 |
The regression of the results leads with a mean deviation of 3% to the following equation:
ln(p/hPa) = 29.6902 - 13471.33/(T/K)
The vapour pressure at 20, 25 and 50°C was calculated from the regression equation
Vapour pressures calculated from the regression equation:
| Temperature (°C) | Vapour Pressure (hPa) | |
| 20 | < 1 x 10-6 | |
| 25 | < 1.0 x 10-6 | |
| 50 | 6.2 x 10-6 | |
QPRF
Vapor Pressure Estimations (25 deg C):
(Using BP: 421.54 deg C (estimated))
(Using MP: 60.60 deg C (user entered))
VP: 1.58E-007 mm Hg (Antoine Method)
: 2.11E-005 Pa (Antoine Method)
VP: 1.15E-006 mm Hg (Modified Grain Method)
: 0.000154 Pa (Modified Grain Method)
VP: 2.29E-006 mm Hg (Mackay Method)
: 0.000305 Pa (Mackay Method)
Selected VP: 1.15E-006 mm Hg (Modified Grain Method)
: 0.000154 Pa (Modified Grain Method)
Subcooled liquid VP: 2.48E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.00033 Pa (25 deg C, Mod-Grain method)
Results:
| Temperature (°C) | Vapour pressure (hPa) | |
| cell 3 | cell 7 | |
| 41.8 | 2.14 x 10-6 | 2.07 x 10-6 |
| 51.9 | 7.34 x 10-6 | 7.53 x 10-6 |
| 64.0 | 3.44 x 10-5 | 3.59 x 10-5 |
The regression of the results leads with a mean deviation of 3% to the following equation:
ln(p/hPa) = 29.6902 - 13471.33/(T/K)
The vapour pressure at 20, 25 and 50°C was calculated from the regression equation
Vapour pressures calculated from the regression equation:
| Temperature (°C) | Vapour Pressure (hPa) | |
| 20 | < 1 x 10-6 | |
| 25 | < 1.0 x 10-6 | |
| 50 | 6.2 x 10-6 | |
Description of key information
Low vapour pressure, 0.000154 Pa at 20°C.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 20 °C
Additional information
The vapour pressure of n-ODSA EC 701-338-8 is estimated using EPI Suite ™ model, version 4.11, to be low, at 0.000154 to 0.00033 Pa at 20 oC. Data from an analogue substance, 2,5-furandione, dihydro-,mono-C15- 20-alkenyl derivatives (CAS 68784-12-3), was tested and the experimental vapour pressure was found to be consistent with this estimate, at 1 x 10-6 hPa at 20-25oC, or 1E-6 hPa.
This information is from the substance 2,5-furandione, dihydro-,mono-C15-20-alkenylderivatives (CAS 68784-12-3, a mixture of a hexadecenyl- and octadecenyl succinic anhydrides), an analogue used for the assessment of several endpoints through read-across. The hypothesis for read-across between the substance being registered (Reaction products of furan-2,5-dione and octadec-1-ene; known here as n-ODSA EC 701-338-8; no CASRN available), and the analogue substance is a common functional group: a 2,5-furandione, dihydro- structure, also known as a succinic anhydride, to which is attached a long-chain monounsaturated olefin. In the environment, the anhydride moiety is quickly hydrolysed to form a dioic acid. When the substance to be registered and the analogue substance are compared, changes in the purity of the starting olefin stock, or small differences in the length (between sixteen and twenty) or arrangement (linear or branched) of the carbon chain are not anticipated to significantly affect the environmental fate properties or the toxicity of the substances. For each endpoint study based upon read-across, the analogue approach is substantiated by an evaluation provided in the Analogue Approach Report Format (AARF) attached to the endpoint study summary file. The AARF allows the read-across information to fulfil the information requirements of the REACH Annexes VII-X, to be the basis for classification and labelling decisions, and for risk assessment.
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