- InChI
- InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3
- InChI Key
- RXXBBHGCAXVBES-UHFFFAOYSA-N
- Formula
- C20H30O3
- SMILES
-
CC12CCC(=O)C(O)=C1CCC1C2CCC2(C
)C1CCC2(C)O - Molecular Weight1
- 318.45
- CAS
- 145841-84-5
- 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).
- 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° | -117.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 4.155 | Crippen Calculated Property | |
| McVol | 258.230 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Tboil | 957.99 | K | Joback Calculated Property |
| Tc | 1189.14 | K | Joback Calculated Property |
| Tfus | 648.20 | K | Joback Calculated Property |
| Vc | 0.967 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [981.42; 1193.26] | J/mol×K | [957.99; 1189.14] | 
|
| Cp,gas | 981.42 | J/mol×K | 957.99 | Joback Calculated Property |
| Cp,gas | 1010.66 | J/mol×K | 996.52 | Joback Calculated Property |
| Cp,gas | 1041.79 | J/mol×K | 1035.04 | Joback Calculated Property |
| Cp,gas | 1075.21 | J/mol×K | 1073.57 | Joback Calculated Property |
| Cp,gas | 1111.32 | J/mol×K | 1112.09 | Joback Calculated Property |
| Cp,gas | 1150.54 | J/mol×K | 1150.62 | Joback Calculated Property |
| Cp,gas | 1193.26 | J/mol×K | 1189.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Androsten-3-one, 4,17beta-dihydroxy-17alpha-methyl-.
Sources
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