- InChI
- InChI=1S/C17H26O2/c18-11-2-4-12-10(9-11)1-3-14-13(12)5-6-16-15(14)7-8-17(16)19/h10-16,18H,1-9H2/t10-,11-,12?,13?,14?,15?,16?/m0/s1
- InChI Key
- VAAOCLICQGAZPU-LRGVGNOESA-N
- Formula
- C17H26O2
- SMILES
- O=C1CCC2C1CCC1C3CCC(O)CC3CCC21
- Molecular Weight1
- 262.39
- 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° | -7.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.95 | kJ/mol | Joback Calculated Property |
| log10WS | -3.72 | Crippen Calculated Property | |
| logPoct/wat | 3.179 | Crippen Calculated Property | |
| McVol | 214.390 | ml/mol | McGowan Calculated Property |
| Pc | 2110.00 | kPa | Joback Calculated Property |
| Inp | 2547.00 | NIST | |
| Tboil | 782.66 | K | Joback Calculated Property |
| Tc | 1009.96 | K | Joback Calculated Property |
| Tfus | 451.83 | K | Joback Calculated Property |
| Vc | 0.798 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [758.53; 865.68] | J/mol×K | [782.66; 1009.96] | 
|
| Cp,gas | 758.53 | J/mol×K | 782.66 | Joback Calculated Property |
| Cp,gas | 780.07 | J/mol×K | 820.54 | Joback Calculated Property |
| Cp,gas | 800.04 | J/mol×K | 858.43 | Joback Calculated Property |
| Cp,gas | 818.50 | J/mol×K | 896.31 | Joback Calculated Property |
| Cp,gas | 835.54 | J/mol×K | 934.19 | Joback Calculated Property |
| Cp,gas | 851.24 | J/mol×K | 972.07 | Joback Calculated Property |
| Cp,gas | 865.68 | J/mol×K | 1009.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»-hydroxy-5«beta»-androstane-17-one.
Sources
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