- InChI
- InChI=1S/C29H52O2Si2/c1-9-19-32(5,6)30-23-15-17-28(3)22(21-23)11-12-24-25-13-14-27(31-33(7,8)20-10-2)29(25,4)18-16-26(24)28/h9-10,22-27H,1-2,11-21H2,3-8H3/t22-,23+,24?,25?,26?,27-,28-,29-/m1/s1
- InChI Key
- OUOVAJWRZOXAQH-BCLNFRNMSA-N
- Formula
- C29H52O2Si2
- SMILES
-
C=CC[Si](C)(C)OC1CCC2(C)C(CCC3
C2CCC2(C)C(O[Si](C)(C)CC=C)CCC 32)C1 - Molecular Weight1
- 488.89
- 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 | 0.6195 | Relay (1.0) Calculated Property | |
| ΔfG° | 204.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -712.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.582 | Crippen Calculated Property | |
| Pc | 139.75 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2948.00; 2948.00] |
|
|
| Inp | 2948.00 | NIST | |
| Inp | 2948.00 | NIST | |
| Tboil | 720.11 | K | Relay (1.0) Calculated Property |
| Tc | 965.93 | K | Relay (1.0) Calculated Property |
| Tfus | 343.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.553 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Androstan-3«alpha»,17«beta»-diol, allyl-DMS.
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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