- InChI
- InChI=1S/C11H24O2Si/c1-9(2)8-10(12)13-14(6,7)11(3,4)5/h9H,8H2,1-7H3
- InChI Key
- OWWNBWBPKVZEOB-UHFFFAOYSA-N
- Formula
- C11H24O2Si
- SMILES
- CC(C)CC(=O)O[Si](C)(C)C(C)(C)C
- Molecular Weight1
- 216.39
- CAS
- 111864-22-3
- Other Names
-
- Butanoic acid, 3-methyl, TBDMS
- Isovaleric acid, TBDMS
- Isovaleric acid, DMTBS
- 3-Methylbutanoic acid, tbdms 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 | 0.5097 | Relay (1.0) Calculated Property | |
| ΔfG° | -224.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -692.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| Pc | 1943.23 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1147.00 | NIST | |
| Tboil | 445.18 | K | Relay (1.0) Calculated Property |
| Tc | 660.20 | K | Relay (1.0) Calculated Property |
| Tfus | 257.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-methyl-, tert-butyldimethylsilyl 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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