- InChI
- InChI=1S/C9H20O2Si/c1-6-8(2)7-9(10)11-12(3,4)5/h8H,6-7H2,1-5H3
- InChI Key
- HYPLBXPWARHOLR-UHFFFAOYSA-N
- Formula
- C9H20O2Si
- SMILES
- CCC(C)CC(=O)O[Si](C)(C)C
- Molecular Weight1
- 188.34
- 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 | 0.4879 | Relay (1.0) Calculated Property | |
| ΔfG° | -258.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -685.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.801 | Crippen Calculated Property | |
| Pc | 1806.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1059.00 | NIST | |
| Tboil | 421.66 | K | Relay (1.0) Calculated Property |
| Tc | 602.80 | K | Relay (1.0) Calculated Property |
| Tfus | 193.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylvaleric acid, TMS.
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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