- InChI
- InChI=1S/C20H30O2/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/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15?,16?,17?,18?,19?,20-/m0/s1
- InChI Key
- JRNSSSJKIGAFCT-JTRACFKJSA-N
- Formula
- C20H30O2
- SMILES
-
CC12C=CC(=O)CC1CCC1C2CCC2(C)C1
CCC2(C)O - Molecular Weight1
- 302.45
- 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° | 30.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 4.125 | Crippen Calculated Property | |
| McVol | 252.360 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | 2599.00 | NIST | |
| Tboil | 851.18 | K | Joback Calculated Property |
| Tc | 1090.22 | K | Joback Calculated Property |
| Tfus | 558.10 | K | Joback Calculated Property |
| Vc | 0.947 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [901.05; 1084.19] | J/mol×K | [851.18; 1090.22] | 
|
| Cp,gas | 901.05 | J/mol×K | 851.18 | Joback Calculated Property |
| Cp,gas | 928.10 | J/mol×K | 891.02 | Joback Calculated Property |
| Cp,gas | 955.94 | J/mol×K | 930.86 | Joback Calculated Property |
| Cp,gas | 985.02 | J/mol×K | 970.70 | Joback Calculated Property |
| Cp,gas | 1015.79 | J/mol×K | 1010.54 | Joback Calculated Property |
| Cp,gas | 1048.70 | J/mol×K | 1050.38 | Joback Calculated Property |
| Cp,gas | 1084.19 | J/mol×K | 1090.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17-«alpha»-Hydroxy-17-«beta»-methyl-5-«beta»-androst-1-en-3-one.
Sources
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