- InChI
- InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15?,16?,17?,18?,19?/m1/s1
- InChI Key
- VMNRNUNYBVFVQI-OCUVBNDUSA-N
- Formula
- C19H30O
- SMILES
-
CC12CCCC1C1CCC3CC(=O)CCC3(C)C1
CC2 - Molecular Weight1
- 274.44
- CAS
- 1224-95-9
- Other Names
-
- 5«alpha»-Androstan-3-one
- Androstan-3-one
- 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° | 142.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | 4.988 | Crippen Calculated Property | |
| McVol | 236.700 | ml/mol | McGowan Calculated Property |
| Pc | 1829.41 | kPa | Joback Calculated Property |
| Inp | [2027.00; 2027.00] |
|
|
| Inp | 2027.00 | NIST | |
| Inp | 2027.00 | NIST | |
| Tboil | 741.39 | K | Joback Calculated Property |
| Tc | 995.68 | K | Joback Calculated Property |
| Tfus | 465.59 | K | Joback Calculated Property |
| Vc | 0.888 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.31; 951.68] | J/mol×K | [741.39; 995.68] |
|
| Cp,gas | 789.31 | J/mol×K | 741.39 | Joback Calculated Property |
| Cp,gas | 817.52 | J/mol×K | 783.77 | Joback Calculated Property |
| Cp,gas | 844.73 | J/mol×K | 826.15 | Joback Calculated Property |
| Cp,gas | 871.34 | J/mol×K | 868.54 | Joback Calculated Property |
| Cp,gas | 897.76 | J/mol×K | 910.92 | Joback Calculated Property |
| Cp,gas | 924.41 | J/mol×K | 953.30 | Joback Calculated Property |
| Cp,gas | 951.68 | J/mol×K | 995.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androstan-3-one, (5«alpha»)-.
Sources
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