- InChI
- InChI=1S/C30H58O3Si3/c1-13-24-27(32-35(7,8)9)20-26-23-15-14-21-18-22(31-34(4,5)6)19-28(33-36(10,11)12)30(21,3)25(23)16-17-29(24,26)2/h14,22-28H,13,15-20H2,1-12H3/t22?,23?,24-,25?,26?,27?,28?,29+,30-/m1/s1
- InChI Key
- RNHJMXCYHINPLG-MQVJPIIYSA-N
- Formula
- C30H58O3Si3
- SMILES
-
CCC1C(O[Si](C)(C)C)CC2C3CC=C4C
C(O[Si](C)(C)C)CC(O[Si](C)(C)C )C4(C)C3CCC12C - Molecular Weight1
- 551.04
- 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 | 0.6615 | Relay (1.0) Calculated Property | |
| ΔfG° | 30.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1007.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.856 | Crippen Calculated Property | |
| Inp | 2955.00 | NIST | |
| Tboil | 688.66 | K | Relay (1.0) Calculated Property |
| Tc | 943.46 | K | Relay (1.0) Calculated Property |
| Tfus | 379.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.799 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pregnan-1,3,16-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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