- InChI
- InChI=1S/C33H64O2Si2/c1-24(13-12-20-31(2,3)35-37(9,10)11)28-16-17-29-27-15-14-25-23-26(34-36(6,7)8)18-21-32(25,4)30(27)19-22-33(28,29)5/h24-30H,12-23H2,1-11H3/t24?,25-,26-,27?,28?,29?,30?,32?,33?/m1/s1
- InChI Key
- NJFJTWQCYGPGKC-ZOWPKFBCSA-N
- Formula
- C33H64O2Si2
- SMILES
-
CC(CCCC(C)(C)O[Si](C)(C)C)C1CC
C2C3CCC4CC(O[Si](C)(C)C)CCC4(C )C3CCC12C - Molecular Weight1
- 549.03
- 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 | 0.7534 | Relay (... Calculated Property | |
| ΔfG° | 98.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -973.45 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 120.89 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -8.26 | Relay (... Calculated Property | |
| logPoct/wat | 10.302 | Crippen Calculated Property | |
| Pc | -346.08 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3409.00; 3411.00] |
|
|
| Inp | 3409.00 | NIST | |
| Inp | 3411.00 | NIST | |
| Tboil | 719.20 | K | Relay (... Calculated Property |
| Tc | 970.74 | K | Relay (... Calculated Property |
| Tfus | 375.68 | K | Relay (... Calculated Property |
| Vc | 1.863 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-cholestan-3«beta»,25-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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