- InChI
- InChI=1S/C33H62O4Si2/c1-11-38(7,8)36-28-21-24-15-13-14-20-32(24,4)27-22-29(37-39(9,10)12-2)33(5)25(17-18-26(33)31(27)28)23(3)16-19-30(34)35-6/h23-29,31H,11-22H2,1-10H3/t23-,24+,25-,26+,27+,28+,29+,31+,32+,33-/m0/s1
- InChI Key
- CEXBTJDTURZYOY-UTKSZCFKSA-N
- Formula
- C33H62O4Si2
- SMILES
-
CC[Si](C)(C)OC1CC2CCCCC2(C)C2C
C(O[Si](C)(C)CC)C3(C)C(C(C)CCC (=O)OC)CCC3C12 - Molecular Weight1
- 579.01
- 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.
- I : 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 | 0.8214 | Relay (... Calculated Property | |
| ΔfG° | -131.21 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1228.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 131.17 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -6.98 | Relay (... Calculated Property | |
| logPoct/wat | 9.065 | Crippen Calculated Property | |
| Pc | -157.30 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3328.00; 3328.00] |
|
|
| Inp | 3328.00 | NIST | |
| Inp | 3328.00 | NIST | |
| I | [3681.00; 3681.00] |
|
|
| I | 3681.00 | NIST | |
| I | 3681.00 | NIST | |
| Tboil | 731.33 | K | Relay (... Calculated Property |
| Tc | 1015.21 | K | Relay (... Calculated Property |
| Tfus | 364.80 | K | Relay (... Calculated Property |
| Vc | 1.824 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Cholanic acid, 7«beta»,12«alpha»-dihydroxy, Me-DMES.
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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