- InChI
- InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h2,13-16,20-21H,3-11H2,1H3/t13-,14-,15-,16-,18-,19+/m1/s1
- InChI Key
- SGYCSWPEAHDOHE-AUTURXRWSA-N
- Formula
- C19H28O3
- SMILES
-
CC12CCC3C(CC=C4CC(O)CCC43CO)C1
CCC2=O - Molecular Weight1
- 304.42
- CAS
- 2857-45-6
- Other Names
-
- Androst-5-en-17-one, 3«beta»,19-dihydroxy-
- 3,19-Dihydroxyandrost-5-en-17-one-, (3«beta»)-
- Androst-5-en-17-one, 3beta,19-dihydroxy-
- 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 | 0.6928 | Relay (... Calculated Property | |
| ΔfG° | -110.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.23 | eV | Relay (... Calculated Property |
| log10WS | -3.53 | Relay (... Calculated Property | |
| logPoct/wat | 2.852 | Crippen Calculated Property | |
| McVol | 244.140 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Tboil | 651.15 | K | Relay (... Calculated Property |
| Tc | 965.17 | K | Relay (... Calculated Property |
| Tfus | 455.62 | K | Relay (... Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [913.62; 1069.42] | J/mol×K | [929.89; 1156.59] | 
|
| Cp,gas | 913.62 | J/mol×K | 929.89 | Joback Calculated Property |
| Cp,gas | 937.00 | J/mol×K | 967.67 | Joback Calculated Property |
| Cp,gas | 961.03 | J/mol×K | 1005.46 | Joback Calculated Property |
| Cp,gas | 986.00 | J/mol×K | 1043.24 | Joback Calculated Property |
| Cp,gas | 1012.20 | J/mol×K | 1081.02 | Joback Calculated Property |
| Cp,gas | 1039.91 | J/mol×K | 1118.81 | Joback Calculated Property |
| Cp,gas | 1069.42 | J/mol×K | 1156.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androst-5-en-17-one, 3,19-dihydroxy-, (3«beta»)-.
Sources
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