- InChI
- InChI=1S/C10H22O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h5-9H2,1-4H3
- InChI Key
- AMUGRUMFZAKWNM-UHFFFAOYSA-N
- Formula
- C10H22O2Si
- SMILES
- CCCCCCC(=O)O[Si](C)(C)C
- Molecular Weight1
- 202.37
- Other Names
-
- Heptanoic acid, TMS
- Heptanoic acid, TMS ester
- Heptanoic 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 | 0.5760 | Relay (... Calculated Property | |
| ΔfG° | -247.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -687.70 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 56.00 | kJ/mol | Relay (... Calculated Property |
| IE | 10.05 | eV | Relay (... Calculated Property |
| log10WS | -2.97 | Relay (... Calculated Property | |
| logPoct/wat | 3.335 | Crippen Calculated Property | |
| Pc | 1608.61 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1162.00; 1171.20] |
|
|
| Inp | 1162.00 | NIST | |
| Inp | 1168.70 | NIST | |
| Inp | 1171.20 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1168.70 | NIST | |
| Tboil | 463.72 | K | Relay (... Calculated Property |
| Tc | 629.38 | K | Relay (... Calculated Property |
| Tfus | 217.44 | K | Relay (... Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic 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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