- InChI
- InChI=1S/C19H28O/c1-18-10-3-5-14(18)13-7-8-16-17(20)6-4-11-19(16,2)15(13)9-12-18/h8,13-15H,3-7,9-12H2,1-2H3/t13-,14-,15-,18-,19+/m1/s1
- InChI Key
- MCYXUSLOLJKBAQ-TZNWLIJBSA-N
- Formula
- C19H28O
- SMILES
-
CC12CCCC1C1CC=C3C(=O)CCCC3(C)C
1CC2 - Molecular Weight1
- 272.43
- CAS
- 13583-72-7
- 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° | 170.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.99 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.908 | Crippen Calculated Property | |
| McVol | 232.400 | ml/mol | McGowan Calculated Property |
| Pc | 1916.94 | kPa | Joback Calculated Property |
| Inp | 2030.00 | NIST | |
| Tboil | 750.20 | K | Joback Calculated Property |
| Tc | 1007.29 | K | Joback Calculated Property |
| Tfus | 483.11 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.53; 918.19] | J/mol×K | [750.20; 1007.29] | 
|
| Cp,gas | 761.53 | J/mol×K | 750.20 | Joback Calculated Property |
| Cp,gas | 788.17 | J/mol×K | 793.05 | Joback Calculated Property |
| Cp,gas | 814.03 | J/mol×K | 835.90 | Joback Calculated Property |
| Cp,gas | 839.54 | J/mol×K | 878.75 | Joback Calculated Property |
| Cp,gas | 865.12 | J/mol×K | 921.60 | Joback Calculated Property |
| Cp,gas | 891.20 | J/mol×K | 964.44 | Joback Calculated Property |
| Cp,gas | 918.19 | J/mol×K | 1007.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androst-5-en-4-one.
Sources
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