- InChI
- InChI=1S/C20H28O2/c1-19-9-7-15(22)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h11-12,14,16-18H,3-10H2,1-2H3/t14-,16?,17?,18?,19+,20-/m0/s1
- InChI Key
- VZHQDHQAMFXIJW-JQBYYDJRSA-N
- Formula
- C20H28O2
- SMILES
-
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(
C=O)CCC12 - 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° | 71.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 4.333 | Crippen Calculated Property | |
| McVol | 248.060 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | [2660.00; 2660.00] |
|
|
| Inp | 2660.00 | NIST | |
| Inp | 2660.00 | NIST | |
| Tboil | 817.07 | K | Joback Calculated Property |
| Tc | 1068.50 | K | Joback Calculated Property |
| Tfus | 532.14 | K | Joback Calculated Property |
| Vc | 0.948 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.60; 1008.24] | J/mol×K | [817.07; 1068.50] |
|
| Cp,gas | 849.60 | J/mol×K | 817.07 | Joback Calculated Property |
| Cp,gas | 875.39 | J/mol×K | 858.98 | Joback Calculated Property |
| Cp,gas | 900.93 | J/mol×K | 900.88 | Joback Calculated Property |
| Cp,gas | 926.59 | J/mol×K | 942.79 | Joback Calculated Property |
| Cp,gas | 952.77 | J/mol×K | 984.69 | Joback Calculated Property |
| Cp,gas | 979.86 | J/mol×K | 1026.60 | Joback Calculated Property |
| Cp,gas | 1008.24 | J/mol×K | 1068.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Oxoandrost-4-ene-17B-carboxaldehyde.
Sources
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