- InChI
- InChI=1S/C31H60O2Si2/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/h22-27H,13-21H2,1-12H3/t22-,23+,24?,25?,26?,27-,30-,31-/m1/s1
- InChI Key
- VXQXLCZNGSUBJR-ONUVBERVSA-N
- Formula
- C31H60O2Si2
- SMILES
-
CC12CCC(O[Si](C)(C)C(C)(C)C)CC
1CCC1C2CCC2(C)C(O[Si](C)(C)C(C )(C)C)CCC12 - Molecular Weight1
- 520.98
- 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 | 0.6612 | Relay (... Calculated Property | |
| ΔfG° | 112.04 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -883.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -7.55 | Relay (... Calculated Property | |
| logPoct/wat | 9.810 | Crippen Calculated Property | |
| Pc | 373.85 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3041.00 | NIST | |
| Tboil | 693.97 | K | Relay (... Calculated Property |
| Tc | 988.60 | K | Relay (... Calculated Property |
| Tfus | 390.53 | K | Relay (... Calculated Property |
| Vc | 1.760 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Androstan-3«alpha»,17«beta»-diol, TBDMS.
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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