- InChI
- InChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h12-13H,7-11,14-22H2,1-6H3/b13-12-
- InChI Key
- ZYXNQUCAMMMNNE-SEYXRHQNSA-N
- Formula
- C24H48O2Si
- SMILES
-
CCCCCCC=CCCCCCCCCCC(=O)O[Si](C
)(C)C(C)(C)C - Molecular Weight1
- 396.72
- Other Names
-
- cis-Vaccenic acid, tert-butyldimethylsilyl ester
- Vaccenic acid, (z)-, tbdms 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 | 0.9365 | Relay (1.0) Calculated Property | |
| ΔfG° | -60.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -887.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.572 | Crippen Calculated Property | |
| Pc | 686.33 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2476.90 | NIST | |
| Tboil | 609.35 | K | Relay (1.0) Calculated Property |
| Tc | 807.16 | K | Relay (1.0) Calculated Property |
| Tfus | 278.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.407 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-Vaccenic acid, tert.-butyldimethylsilyl 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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