- InChI
- InChI=1S/C30H52OSi/c1-22(2)11-9-12-24(4)28-18-19-29-25(13-10-20-30(28,29)5)15-16-26-21-27(17-14-23(26)3)31-32(6,7)8/h15-16,22,24,27-29H,3,9-14,17-21H2,1-2,4-8H3/b25-15+,26-16+
- InChI Key
- GWVMYANKBNXDQN-RYQLWAFASA-N
- Formula
- C30H52OSi
- SMILES
-
C=C1CCC(O[Si](C)(C)C)CC1=CC=C1
CCCC2(C)C1CCC2C(C)CCCC(C)C - Molecular Weight1
- 456.82
- Other Names
-
- (3S,5Z,7E)-3-Methoxy-9,10-secocholesta-5,7,10-triene
- Cholecalciferol, tms 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 | 0.6797 | Relay (1.0) Calculated Property | |
| ΔfG° | 249.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -565.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.478 | Crippen Calculated Property | |
| Pc | 58.32 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3104.10 | NIST | |
| Tboil | 694.35 | K | Relay (1.0) Calculated Property |
| Tc | 913.52 | K | Relay (1.0) Calculated Property |
| Tfus | 343.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.479 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Silane, [(3«beta»)-cholesta-5,7-dien-3-yloxy]trimethyl-.](data:image/png;base64,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)
Find more compounds similar to Cholecalciferol, trimethylsilyl ether.
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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