- InChI
- InChI=1S/C29H48OSi/c1-20(2)9-8-10-21(3)27-15-16-28-26-13-11-22-19-23(30-31(5,6)7)12-14-24(22)25(26)17-18-29(27,28)4/h11,13,20-21,23,27-28H,8-10,12,14-19H2,1-7H3/t21-,23+,27-,28?,29-/m0/s1
- InChI Key
- HAYHXZDJTAFLEW-QGJQKYCNSA-N
- Formula
- C29H48OSi
- SMILES
-
CC(C)CCCC(C)C1CCC2c3ccc4c(c3CC
C21C)CCC(O[Si](C)(C)C)C4 - Molecular Weight1
- 440.78
- 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 | 0.7481 | Relay (1.0) Calculated Property | |
| ΔfG° | 202.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -519.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.304 | Crippen Calculated Property | |
| Pc | 235.81 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3206.00 | NIST | |
| Tboil | 712.67 | K | Relay (1.0) Calculated Property |
| Tc | 949.37 | K | Relay (1.0) Calculated Property |
| Tfus | 368.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.462 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 19-Nor-5,7,9(10)-cholestatrien-3«beta»-ol, 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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