- InChI
- InChI=1S/C19H24O3/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/h9,13-14,17H,3-8,10H2,1-2H3
- InChI Key
- RZRPTBIGEANTGU-UHFFFAOYSA-N
- Formula
- C19H24O3
- SMILES
-
CC12CC(=O)C3C(CCC4=CC(=O)CCC43
C)C1CCC2=O - Molecular Weight1
- 300.39
- CAS
- 382-45-6
- Other Names
-
- 11-Oxy-4-androstenedione
- 4-Androsten-3,11,17-trione
- Adrenosterone
- Reichstein's substance g
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -74.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.48 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.48; -3.48] |
|
|
| log10WS | -3.48 | Aq. Sol... | |
| log10WS | -3.48 | Estimat... | |
| logPoct/wat | 3.266 | Crippen Calculated Property | |
| McVol | 235.540 | ml/mol | McGowan Calculated Property |
| Pc | 2040.07 | kPa | Joback Calculated Property |
| Inp | [2801.30; 2801.30] |
|
|
| Inp | 2801.30 | NIST | |
| Inp | 2801.30 | NIST | |
| Tboil | 885.84 | K | Joback Calculated Property |
| Tc | 1160.74 | K | Joback Calculated Property |
| Tfus | 619.55 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [844.28; 1015.04] | J/mol×K | [885.84; 1160.74] |
|
| Cp,gas | 844.28 | J/mol×K | 885.84 | Joback Calculated Property |
| Cp,gas | 871.27 | J/mol×K | 931.66 | Joback Calculated Property |
| Cp,gas | 898.32 | J/mol×K | 977.47 | Joback Calculated Property |
| Cp,gas | 925.84 | J/mol×K | 1023.29 | Joback Calculated Property |
| Cp,gas | 954.21 | J/mol×K | 1069.11 | Joback Calculated Property |
| Cp,gas | 983.81 | J/mol×K | 1114.92 | Joback Calculated Property |
| Cp,gas | 1015.04 | J/mol×K | 1160.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androst-4-ene-3,11,17-trione.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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