- InChI
- InChI=1S/C31H54O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(32)33-34(2,3)29-30-26-23-22-24-27-30/h11-12,22-24,26-27H,4-10,13-21,25,28-29H2,1-3H3/b12-11+
- InChI Key
- FRPCXQDGZFJAOQ-VAWYXSNFSA-N
- Formula
- C31H54O2Si
- SMILES
-
CCCCCCCCC=CCCCCCCCCCCCC(=O)O[S
i](C)(C)Cc1ccccc1 - Molecular Weight1
- 486.84
- 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 | 1.1782 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -804.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.114 | Crippen Calculated Property | |
| Pc | 101.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3761.00 | NIST | |
| Tboil | 693.37 | K | Relay (1.0) Calculated Property |
| Tc | 892.23 | K | Relay (1.0) Calculated Property |
| Tfus | 295.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.684 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Erucic acid, benzyldimethylsilyl 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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