Registration Dossier
Registration Dossier
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EC number: 205-334-2 | CAS number: 138-59-0
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- Oct. 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: approved QSAR method (Episuite 4.10)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- Shikimic acid is melting at 183 °C followed by decompositon. The direct determination of the vapour pressure of the solid at 25 °C would be very difficult as the sensitivity of the normally available measurement methods would not be enough. Therefore a calculation method was chosen which was validated by the determined melting and boiling point.
Within Episuite the tool MPBPWIN v1.43 was used to calculate the vapour pressure at 25°C with the Modified Grain Method based on the measured melting point and the estimated boiling point. - GLP compliance:
- no
- Type of method:
- other: calculation with Epi Suite 4.10
Test material
- Reference substance name:
- (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
- EC Number:
- 205-334-2
- EC Name:
- (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
- Cas Number:
- 138-59-0
- Molecular formula:
- C7H10O5
- IUPAC Name:
- (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- ca. 25 °C
- Vapour pressure:
- ca. 0 Pa
Any other information on results incl. tables
The calculated vapour pressure at 25 °C is: 7.23 · 10-7 Pa (according to Grain (modified)) for Shikimic acid. This is below the lowest experimentally measurable value.
Applicant's summary and conclusion
- Conclusions:
- The calculated vapour pressure at 25 °C is: 7.23 · 10-7 Pa (according to Grain (modified)) for Shikimic acid. This is below the lowest experimentally measurable value.
- Executive summary:
Vapour pressure was calculated with Episuite 4.1, MPBPWIN v1.43. The calculated vapour pressure at 25 °C is: 7.23 · 10-7 Pa (according to Grain (modified)) for Shikimic acid. This is below the lowest experimentally measurable value.
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