- InChI
- InChI=1S/C9H20O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H2,1-4H3
- InChI Key
- CYXNJMDACJPPRR-UHFFFAOYSA-N
- Formula
- C9H20O2Si
- SMILES
- CCCCCC(=O)O[Si](C)(C)C
- Molecular Weight1
- 188.34
- CAS
- 14246-15-2
- Other Names
-
- Caproic acid, trimethylsilyl ester
- Hexanoic acid, TMS
- Hexanoic 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.
- I : 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 | 0.5341 | Relay (... Calculated Property | |
| ΔfG° | -257.43 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -668.71 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 52.29 | kJ/mol | Relay (... Calculated Property |
| IE | 10.06 | eV | Relay (... Calculated Property |
| log10WS | -2.43 | Relay (... Calculated Property | |
| logPoct/wat | 2.945 | Crippen Calculated Property | |
| Pc | 1742.29 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1063.00; 1074.00] |
|
|
| Inp | 1074.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1068.60 | NIST | |
| Inp | 1073.30 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1063.00 | NIST | |
| I | 1200.00 | NIST | |
| Tboil | 444.22 | K | Relay (... Calculated Property |
| Tc | 611.75 | K | Relay (... Calculated Property |
| Tfus | 210.50 | K | Relay (... Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic 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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