- InChI
- InChI=1S/C30H56OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h21-28H,9-20H2,1-8H3/t22?,23?,24-,25?,26+,27?,28?,29-,30+/m1/s1
- InChI Key
- HRLPEXVPNOBUDF-NWCDQSESSA-N
- Formula
- C30H56OSi
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4CC(O[S
i](C)(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 460.85
- 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 | 0.6637 | Relay (... Calculated Property | |
| ΔfG° | 168.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -699.92 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.13 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -8.51 | Relay (... Calculated Property | |
| logPoct/wat | 9.328 | Crippen Calculated Property | |
| Pc | 42.59 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3138.50; 3138.50] |
|
|
| Inp | 3138.50 | NIST | |
| Inp | 3138.50 | NIST | |
| Tboil | 694.96 | K | Relay (... Calculated Property |
| Tc | 946.37 | K | Relay (... Calculated Property |
| Tfus | 373.10 | K | Relay (... Calculated Property |
| Vc | 1.551 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2H7-CHOLESTEROL (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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