- InChI
- InChI=1S/C23H35ClO2Si/c1-21-12-11-19(25)20(24)18(21)8-7-15-16(21)9-13-22(2)17(15)10-14-23(22,3)26-27(4,5)6/h11-12,15-17H,7-10,13-14H2,1-6H3/t15?,16?,17?,21?,22?,23-/m0/s1
- InChI Key
- QMMLRALJVSNRHB-BLAZJUBZSA-N
- Formula
- C23H35ClO2Si
- SMILES
-
CC12C=CC(=O)C(Cl)=C1CCC1C2CCC2
(C)C1CCC2(C)O[Si](C)(C)C - Molecular Weight1
- 407.06
- 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 | 0.5183 | Relay (... Calculated Property | |
| ΔfG° | 41.80 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -530.54 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | Relay (... Calculated Property |
| log10WS | -5.81 | Relay (... Calculated Property | |
| logPoct/wat | 6.471 | Crippen Calculated Property | |
| Pc | 775.15 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2927.00; 2927.00] |
|
|
| Inp | 2927.00 | NIST | |
| Inp | 2927.00 | NIST | |
| Tboil | 651.10 | K | Relay (... Calculated Property |
| Tc | 931.92 | K | Relay (... Calculated Property |
| Tfus | 419.39 | K | Relay (... Calculated Property |
| Vc | 1.190 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 17-epi-4-Chlorodehydromethyltestosterone, 17-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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