- InChI
- InChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h12-13H,5-11,14-20H2,1-4H3/b13-12+
- InChI Key
- GAODWSYPSJBKGB-OUKQBFOZSA-N
- Formula
- C21H42O2Si
- SMILES
-
CCCCCCCCC=CCCCCCCCC(=O)O[Si](C
)(C)C - Molecular Weight1
- 354.64
- CAS
- 96851-47-7
- Other Names
-
- Trimethylsilyl (9E)-9-octadecenoate
- TMS trans-9-octadecenoate
- (E)-9-Octadecenoic acid, TMS ester
- trans-9-Octadecenoic acid, TMS
- 9-Octadecenoic acid, (e)-, tms derivative
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8976 | Relay (... Calculated Property | |
| ΔfG° | -96.64 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -846.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.89 | kJ/mol | Relay (... Calculated Property |
| IE | 9.23 | eV | Relay (... Calculated Property |
| log10WS | -6.66 | Relay (... Calculated Property | |
| logPoct/wat | 7.402 | Crippen Calculated Property | |
| Pc | 578.00 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2215.05; 2227.00] |
|
|
| Inp | 2215.05 | NIST | |
| Inp | 2217.70 | NIST | |
| Inp | 2227.00 | NIST | |
| Inp | 2227.00 | NIST | |
| Inp | 2215.05 | NIST | |
| Inp | 2217.70 | NIST | |
| Tboil | 595.70 | K | Relay (... Calculated Property |
| Tc | 764.76 | K | Relay (... Calculated Property |
| Tfus | 264.79 | K | Relay (... Calculated Property |
| Vc | 1.279 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to trans-9-Octadecenoic acid, trimethylsilyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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