- InChI
- InChI=1S/C13H27NO3Si/c1-13(2,12-16-10-9-15-3)17-18(4,5)11-7-6-8-14/h6-7,9-12H2,1-5H3
- InChI Key
- OGMQABCENAKYRL-UHFFFAOYSA-N
- Formula
- C13H27NO3Si
- SMILES
- COCCOCC(C)(C)O[Si](C)(C)CCCC#N
- Molecular Weight1
- 273.44
- 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 | 0.7144 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -633.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.953 | Crippen Calculated Property | |
| Pc | 1610.34 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1664.00 | NIST | |
| Tboil | 577.33 | K | Relay (1.0) Calculated Property |
| Tc | 742.61 | K | Relay (1.0) Calculated Property |
| Tfus | 246.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.880 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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