- InChI
- InChI=1S/C36H68O3Si3/c1-26(16-15-21-34(2,3)39-42(12,13)14)29-17-18-30-33-31(20-23-36(29,30)5)35(4)22-19-28(37-40(6,7)8)24-27(35)25-32(33)38-41(9,10)11/h24-26,29-33H,15-23H2,1-14H3/t26?,29?,30?,31?,32-,33?,35?,36?/m0/s1
- InChI Key
- DDTVWJWLYFOTPG-YILISMQQSA-N
- Formula
- C36H68O3Si3
- SMILES
-
CC(CCCC(C)(C)O[Si](C)(C)C)C1CC
C2C3C(O[Si](C)(C)C)C=C4C=C(O[S i](C)(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 633.18
- 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 | 0.8283 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1114.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.177 | Crippen Calculated Property | |
| Pc | -787.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3490.00; 3490.00] |
|
|
| Inp | 3490.00 | NIST | |
| Inp | 3490.00 | NIST | |
| Tboil | 720.28 | K | Relay (1.0) Calculated Property |
| Tc | 978.10 | K | Relay (1.0) Calculated Property |
| Tfus | 372.23 | K | Relay (1.0) Calculated Property |
| Vc | 2.091 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7«alpha»,25-Dihydroxy-4-cholesten-3-one, 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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