- InChI
- InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-16,20H,3-10H2,1-2H3
- InChI Key
- VMYTXBKVYDESSJ-UHFFFAOYSA-N
- Formula
- C19H28O2
- SMILES
-
CC12CCC3C(CCC4=CC(O)CCC43C)C1C
CC2=O - Molecular Weight1
- 288.42
- CAS
- 571-44-8
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5648 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.879 | Crippen Calculated Property | |
| McVol | 238.270 | ml/mol | McGowan Calculated Property |
| Pc | 2019.95 | kPa | Joback Calculated Property |
| Tboil | 633.18 | K | Relay (1.0) Calculated Property |
| Tc | 924.21 | K | Relay (1.0) Calculated Property |
| Tfus | 438.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.854 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.35; 988.44] | J/mol×K | [837.71; 1074.12] | 
|
| Cp,gas | 839.35 | J/mol×K | 837.71 | Joback Calculated Property |
| Cp,gas | 863.19 | J/mol×K | 877.11 | Joback Calculated Property |
| Cp,gas | 887.01 | J/mol×K | 916.51 | Joback Calculated Property |
| Cp,gas | 911.12 | J/mol×K | 955.91 | Joback Calculated Property |
| Cp,gas | 935.84 | J/mol×K | 995.32 | Joback Calculated Property |
| Cp,gas | 961.51 | J/mol×K | 1034.72 | Joback Calculated Property |
| Cp,gas | 988.44 | J/mol×K | 1074.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3Beta-hydroxyandrost-4-en-17-one.
Sources
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