- InChI
- InChI=1S/C33H62O4Si3/c1-23(13-16-30(34)37-40(10,11)12)26-14-15-27-31-28(18-20-33(26,27)3)32(2)19-17-25(35-38(4,5)6)21-24(32)22-29(31)36-39(7,8)9/h22-23,25-29,31H,13-21H2,1-12H3/t23?,25-,26+,27?,28?,29+,31?,32-,33+/m1/s1
- InChI Key
- BTCKLHYSQUOOFP-QMPOGCHESA-N
- Formula
- C33H62O4Si3
- SMILES
-
CC(CCC(=O)O[Si](C)(C)C)C1CCC2C
3C(O[Si](C)(C)C)C=C4CC(O[Si](C )(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 607.10
- 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 | 0.8099 | Relay (... Calculated Property | |
| ΔfG° | -107.48 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1253.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 126.48 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -6.87 | Relay (... Calculated Property | |
| logPoct/wat | 9.410 | Crippen Calculated Property | |
| Pc | -600.93 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3185.00 | NIST | |
| Tboil | 713.60 | K | Relay (... Calculated Property |
| Tc | 980.82 | K | Relay (... Calculated Property |
| Tfus | 374.01 | K | Relay (... Calculated Property |
| Vc | 1.942 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3«beta»,7«alpha»-dihydroxy-5-chol-24-oate, 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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