- InChI
- InChI=1S/C20H32O3/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/h12,14-17,22-23H,4-11H2,1-3H3
- InChI Key
- RNPQQCQDRWIESD-UHFFFAOYSA-N
- Formula
- C20H32O3
- SMILES
-
CC12CCC(=O)CC1CCC1C2C(O)CC2(C)
C1CCC2(C)O - Molecular Weight1
- 320.47
- CAS
- 5454-55-7
- 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).
- 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° | -143.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 3.320 | Crippen Calculated Property | |
| McVol | 262.530 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Tboil | 939.53 | K | Joback Calculated Property |
| Tc | 1167.54 | K | Joback Calculated Property |
| Tfus | 613.92 | K | Joback Calculated Property |
| Vc | 0.979 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1017.35; 1220.53] | J/mol×K | [939.53; 1167.54] | 
|
| Cp,gas | 1017.35 | J/mol×K | 939.53 | Joback Calculated Property |
| Cp,gas | 1046.31 | J/mol×K | 977.53 | Joback Calculated Property |
| Cp,gas | 1076.72 | J/mol×K | 1015.53 | Joback Calculated Property |
| Cp,gas | 1108.96 | J/mol×K | 1053.54 | Joback Calculated Property |
| Cp,gas | 1143.42 | J/mol×K | 1091.54 | Joback Calculated Property |
| Cp,gas | 1180.49 | J/mol×K | 1129.54 | Joback Calculated Property |
| Cp,gas | 1220.53 | J/mol×K | 1167.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androstan-3-one, (5alpha), 11beta,17beta-dihydroxy-17alpha-methyl-.
Sources
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