- InChI
- InChI=1S/C33H62O2Si2/c1-23(2)13-12-14-24(3)27-15-16-28-31-29(18-20-33(27,28)5)32(4)19-17-26(34-36(6,7)8)21-25(32)22-30(31)35-37(9,10)11/h21,23-24,26-31H,12-20,22H2,1-11H3/t24-,26+,27-,28?,29?,30-,31?,32+,33-/m0/s1
- InChI Key
- CRMYOEDDPSPXCY-YKXMAAKZSA-N
- Formula
- C33H62O2Si2
- SMILES
-
CC(C)CCCC(C)C1CCC2C3C(O[Si](C)
(C)C)CC4=CC(O[Si](C)(C)C)CCC4( C)C3CCC12C - Molecular Weight1
- 547.02
- 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 | 0.7232 | Relay (... Calculated Property | |
| ΔfG° | 133.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -880.98 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 123.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -8.42 | Relay (... Calculated Property | |
| logPoct/wat | 10.078 | Crippen Calculated Property | |
| Pc | -316.35 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3600.00; 3600.00] |
|
|
| Inp | 3600.00 | NIST | |
| Inp | 3600.00 | NIST | |
| Tboil | 702.53 | K | Relay (... Calculated Property |
| Tc | 955.66 | K | Relay (... Calculated Property |
| Tfus | 368.72 | K | Relay (... Calculated Property |
| Vc | 1.807 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cholesten-3-«beta»,7-«alpha»-diol, 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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