- InChI
- InChI=1S/C34H68O3Si3/c1-25(15-13-14-22-35-38(4,5)6)28-16-17-29-32-30(19-21-34(28,29)3)33(2)20-18-27(36-39(7,8)9)23-26(33)24-31(32)37-40(10,11)12/h25-32H,13-24H2,1-12H3/t25-,26+,27-,28-,29+,30+,31-,32+,33+,34-/m0/s1
- InChI Key
- AUHPOWAMYQLWCU-HYVGMUFNSA-N
- Formula
- C34H68O3Si3
- SMILES
-
CC(CCCCO[Si](C)(C)C)C1CCC2C3C(
O[Si](C)(C)C)CC4CC(O[Si](C)(C) C)CCC4(C)C3CCC12C - Molecular Weight1
- 609.16
- 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.
- 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 | 0.8286 | Relay (1.0) Calculated Property | |
| ΔfG° | 22.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1181.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.353 | Crippen Calculated Property | |
| Inp | 3360.00 | NIST | |
| Tboil | 733.28 | K | Relay (1.0) Calculated Property |
| Tc | 990.16 | K | Relay (1.0) Calculated Property |
| Tfus | 372.54 | K | Relay (1.0) Calculated Property |
| Vc | 2.025 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5B-Homocholane-3A,7A,25-triol, 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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