- InChI
- InChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-14,17H,3-6,10H2,1-2H3/t13-,14-,17+,18-,19-/m1/s1
- InChI Key
- RZACPWSZIQKVDY-GFPCFBFFSA-N
- Formula
- C19H22O3
- SMILES
-
CC12C=CC(=O)C=C1CCC1C2C(=O)CC2
(C)C(=O)CCC12 - Molecular Weight1
- 298.38
- CAS
- 7738-93-4
- Other Names
-
- 1,4-Androstadiene-3,11,17-trione
- 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 | 0.4845 | Relay (1.0) Calculated Property | |
| ΔfG° | -44.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.042 | Crippen Calculated Property | |
| McVol | 231.240 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Tboil | 629.11 | K | Relay (1.0) Calculated Property |
| Tc | 932.91 | K | Relay (1.0) Calculated Property |
| Tfus | 470.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [814.88; 982.54] | J/mol×K | [885.00; 1162.20] | 
|
| Cp,gas | 814.88 | J/mol×K | 885.00 | Joback Calculated Property |
| Cp,gas | 841.05 | J/mol×K | 931.20 | Joback Calculated Property |
| Cp,gas | 867.40 | J/mol×K | 977.40 | Joback Calculated Property |
| Cp,gas | 894.32 | J/mol×K | 1023.60 | Joback Calculated Property |
| Cp,gas | 922.22 | J/mol×K | 1069.80 | Joback Calculated Property |
| Cp,gas | 951.49 | J/mol×K | 1116.00 | Joback Calculated Property |
| Cp,gas | 982.54 | J/mol×K | 1162.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androsta-1,4-diene-3,11,17-trione.
Sources
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