- InChI
- InChI=1S/C20H28O2/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/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15?,16?,17?,18?,19?,20-/m0/s1
- InChI Key
- XWALNWXLMVGSFR-BROHZWGRSA-N
- Formula
- C20H28O2
- SMILES
-
CC12C=CC(=O)C=C1CCC1C2CCC2(C)C
1CCC2(C)O - Molecular Weight1
- 300.44
- 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° | 59.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.045 | Crippen Calculated Property | |
| McVol | 248.060 | ml/mol | McGowan Calculated Property |
| Pc | 1992.98 | kPa | Joback Calculated Property |
| Inp | 2724.00 | NIST | |
| Tboil | 859.99 | K | Joback Calculated Property |
| Tc | 1101.34 | K | Joback Calculated Property |
| Tfus | 575.62 | K | Joback Calculated Property |
| Vc | 0.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [869.37; 1052.32] | J/mol×K | [859.99; 1101.34] | 
|
| Cp,gas | 869.37 | J/mol×K | 859.99 | Joback Calculated Property |
| Cp,gas | 895.67 | J/mol×K | 900.21 | Joback Calculated Property |
| Cp,gas | 923.03 | J/mol×K | 940.44 | Joback Calculated Property |
| Cp,gas | 951.90 | J/mol×K | 980.66 | Joback Calculated Property |
| Cp,gas | 982.76 | J/mol×K | 1020.89 | Joback Calculated Property |
| Cp,gas | 1016.08 | J/mol×K | 1061.11 | Joback Calculated Property |
| Cp,gas | 1052.32 | J/mol×K | 1101.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17-epi-Methandienone.
Sources
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