- InChI
- InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15?,16?,17?,18-,19-,20-/m1/s1
- InChI Key
- QGKQXZFZOIQFBI-UVZXUZBNSA-N
- Formula
- C20H34O2
- SMILES
-
CC12CCC(O)CC1CCC1C2CCC2(C)C1CC
C2(C)O - Molecular Weight1
- 306.48
- 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° | -20.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.30 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 4.141 | Crippen Calculated Property | |
| McVol | 260.960 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Inp | 2578.00 | NIST | |
| Tboil | 871.71 | K | Joback Calculated Property |
| Tc | 1089.20 | K | Joback Calculated Property |
| Tfus | 545.70 | K | Joback Calculated Property |
| Vc | 0.972 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.80; 1144.66] | J/mol×K | [871.71; 1089.20] | 
|
| Cp,gas | 967.80 | J/mol×K | 871.71 | Joback Calculated Property |
| Cp,gas | 993.94 | J/mol×K | 907.96 | Joback Calculated Property |
| Cp,gas | 1020.92 | J/mol×K | 944.21 | Joback Calculated Property |
| Cp,gas | 1049.12 | J/mol×K | 980.46 | Joback Calculated Property |
| Cp,gas | 1078.90 | J/mol×K | 1016.70 | Joback Calculated Property |
| Cp,gas | 1110.63 | J/mol×K | 1052.95 | Joback Calculated Property |
| Cp,gas | 1144.66 | J/mol×K | 1089.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17-«alpha»-Methyl-5-«alpha»-androstan-3-«beta»,17-«beta»-diol.
Sources
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