- InChI
- InChI=1S/C24H38O3Si/c1-23-12-10-17(25)14-16(23)6-7-18-19-8-9-21(22(26)15-27-28(3,4)5)24(19,2)13-11-20(18)23/h14,18-21H,6-13,15H2,1-5H3
- InChI Key
- TYJIJIWLZXLKEU-UHFFFAOYSA-N
- Formula
- C24H38O3Si
- SMILES
-
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(
C(=O)CO[Si](C)(C)C)CCC12 - Molecular Weight1
- 402.64
- Other Names
-
- 21-hydroxypregn-4-ene-3,20-dione, 21-TMS
- 21-Hydroxyprogesterone, tms derivative
- 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).
- 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 | 0.6020 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -728.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.555 | Crippen Calculated Property | |
| Pc | 682.37 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 685.42 | K | Relay (1.0) Calculated Property |
| Tc | 956.93 | K | Relay (1.0) Calculated Property |
| Tfus | 414.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.208 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 21-Hydroxyprogesterone, trimethylsilyl ether.
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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