- InChI
- InChI=1S/C31H56O2Si2/c1-28(2,3)34(9,10)32-23-17-19-30(7)22(21-23)13-14-24-25-15-16-27(31(25,8)20-18-26(24)30)33-35(11,12)29(4,5)6/h17,21,24-27H,13-16,18-20H2,1-12H3/t24?,25?,26?,27-,30-,31-/m1/s1
- InChI Key
- CGUSFOMZIQRSOF-WPENZHMQSA-N
- Formula
- C31H56O2Si2
- SMILES
-
CC12CC=C(O[Si](C)(C)C(C)(C)C)C
=C1CCC1C2CCC2(C)C(O[Si](C)(C)C (C)(C)C)CCC12 - Molecular Weight1
- 516.95
- 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 | 0.6472 | Relay (1.0) Calculated Property | |
| ΔfG° | 171.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -762.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.855 | Crippen Calculated Property | |
| Pc | 342.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3197.00; 3252.00] |
|
|
| Inp | 3197.00 | NIST | |
| Inp | 3252.00 | NIST | |
| Tboil | 679.93 | K | Relay (1.0) Calculated Property |
| Tc | 979.29 | K | Relay (1.0) Calculated Property |
| Tfus | 401.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.701 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Androst-2,4-dien-3,17«beta»-diol, (3,17-O)-diTBDMSi.
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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