- InChI
- InChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
- InChI Key
- KCEZRIREPDDPDI-UHFFFAOYSA-N
- Formula
- C20H42O2Si
- SMILES
-
CCCCCCCCCCCCCCCCC(=O)O[Si](C)(
C)C - Molecular Weight1
- 342.63
- CAS
- 55517-58-3
- Other Names
-
- Heptadecanoic acid, TMS
- Heptadecanoic acid, TMS ester
- Margarate, TMS
- Margaric acid, trimethylsilyl ester
- Heptadecanoic acid, 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 | 0.9422 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -886.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.236 | Crippen Calculated Property | |
| Pc | 618.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2137.40; 2152.00] |
|
|
| Inp | 2152.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Inp | 2137.40 | NIST | |
| Inp | 2148.00 | NIST | |
| Tboil | 584.68 | K | Relay (1.0) Calculated Property |
| Tc | 757.63 | K | Relay (1.0) Calculated Property |
| Tfus | 290.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.282 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecanoic 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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