- InChI
- InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12,14-15,17,23H,4-11H2,1-3H3
- InChI Key
- SLGYIGUMKJYZLP-UHFFFAOYSA-N
- Formula
- C20H30O3
- SMILES
-
CC12CCC(=O)CC1CCC1C2C(=O)CC2(C
)C1CCC2(C)O - Molecular Weight1
- 318.45
- CAS
- 59962-27-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 0.6326 | Relay (... Calculated Property | |
| ΔfG° | -121.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.40 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -3.73 | Relay (... Calculated Property | |
| logPoct/wat | 3.528 | Crippen Calculated Property | |
| McVol | 258.230 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Tboil | 641.38 | K | Relay (... Calculated Property |
| Tc | 951.04 | K | Relay (... Calculated Property |
| Tfus | 478.25 | K | Relay (... Calculated Property |
| Vc | 0.927 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.96; 1187.25] | J/mol×K | [919.84; 1166.40] | 
|
| Cp,gas | 977.96 | J/mol×K | 919.84 | Joback Calculated Property |
| Cp,gas | 1008.06 | J/mol×K | 960.93 | Joback Calculated Property |
| Cp,gas | 1039.48 | J/mol×K | 1002.03 | Joback Calculated Property |
| Cp,gas | 1072.66 | J/mol×K | 1043.12 | Joback Calculated Property |
| Cp,gas | 1108.05 | J/mol×K | 1084.21 | Joback Calculated Property |
| Cp,gas | 1146.10 | J/mol×K | 1125.31 | Joback Calculated Property |
| Cp,gas | 1187.25 | J/mol×K | 1166.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androstane-3,11-dione, (5beta), 17beta-hydroxy-17alpha-methyl-.
Sources
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