- InChI
- InChI=1S/C17H28O2Si/c1-5-10-16(11-6-2)17(18)19-20(3,4)14-15-12-8-7-9-13-15/h7-9,12-13,16H,5-6,10-11,14H2,1-4H3
- InChI Key
- GHGCAFBBTSHGHT-UHFFFAOYSA-N
- Formula
- C17H28O2Si
- SMILES
-
CCCC(CCC)C(=O)O[Si](C)(C)Cc1cc
ccc1 - Molecular Weight1
- 292.49
- 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 | 0.6713 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -555.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.733 | Crippen Calculated Property | |
| Pc | 1329.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1757.00; 1757.00] |
|
|
| Inp | 1757.00 | NIST | |
| Inp | 1757.00 | NIST | |
| Tboil | 572.46 | K | Relay (1.0) Calculated Property |
| Tc | 773.79 | K | Relay (1.0) Calculated Property |
| Tfus | 251.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.949 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Valproic 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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