- InChI
- InChI=1S/C28H53NO3Si2/c1-19(29-30-4)26-25(32-34(8,9)10)18-24-22-12-11-20-17-21(31-33(5,6)7)13-15-27(20,2)23(22)14-16-28(24,26)3/h20-26H,11-18H2,1-10H3/t20-,21-,22?,23?,24?,25-,26?,27?,28?/m0/s1
- InChI Key
- RQHCBMPEWAEMBW-SXWNTBQOSA-N
- Formula
- C28H53NO3Si2
- SMILES
-
CON=C(C)C1C(O[Si](C)(C)C)CC2C3
CCC4CC(O[Si](C)(C)C)CCC4(C)C3C CC21C - Molecular Weight1
- 507.90
- Other Names
-
- 16«alpha»-Hydroxypregnanolone, MO TMS
- 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 | 0.7057 | Relay (... Calculated Property | |
| ΔfG° | 119.68 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -801.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 111.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -5.81 | Relay (... Calculated Property | |
| logPoct/wat | 7.718 | Crippen Calculated Property | |
| Pc | -71.91 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2961.00; 2972.00] |
|
|
| Inp | 2961.00 | NIST | |
| Inp | 2972.00 | NIST | |
| Tboil | 690.24 | K | Relay (... Calculated Property |
| Tc | 958.20 | K | Relay (... Calculated Property |
| Tfus | 384.98 | K | Relay (... Calculated Property |
| Vc | 1.612 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Pregnane-3«beta», 16«alpha»-diol-20-one, MO 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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