- InChI
- InChI=1S/C30H56O4Si2/c1-20(17-28(31)32-4)24-13-14-25-23-12-11-21-18-22(33-35(5,6)7)15-16-29(21,2)26(23)19-27(30(24,25)3)34-36(8,9)10/h20-27H,11-19H2,1-10H3/t20-,21?,22-,23?,24?,25?,26?,27+,29+,30-/m0/s1
- InChI Key
- NGPRYRMBFZRYLM-WTIROFSHSA-N
- Formula
- C30H56O4Si2
- SMILES
-
COC(=O)CC(C)C1CCC2C3CCC4CC(O[S
i](C)(C)C)CCC4(C)C3CC(O[Si](C) (C)C)C12C - Molecular Weight1
- 536.93
- 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.
- 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 | 0.7269 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1170.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.895 | Crippen Calculated Property | |
| Inp | 3134.00 | NIST | |
| Tboil | 700.66 | K | Relay (1.0) Calculated Property |
| Tc | 979.78 | K | Relay (1.0) Calculated Property |
| Tfus | 379.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.693 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nordeoxycholic acid, trimethylsilyl ether-methyl 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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