- InChI
- InChI=1S/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3
- InChI Key
- QADHLRWLCPCEKT-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
-
CC12CCC(O)CC1=CCC1C2CCC2(C)C(O
)CCC12 - Molecular Weight1
- 290.44
- CAS
- 1963-03-7
- Other Names
-
- Androst-5-ene-3«beta»,17«alpha»-diol
- «delta»5-Androsten-3«beta»,17«alpha»-diol
- Androst-5-en-3«beta»,17«alpha»-diol
- 3«beta»,17«alpha»-Dihydroxy-androst-5-ene
- 3«beta»,17«alpha»-Androst-5-ene-3,17-diol
- Androst-5-en-3-beta,17-alpha-diol
- Androst-5-en-3B,17A-diol
- 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 | 0.6140 | Relay (... Calculated Property | |
| ΔfG° | 4.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.45 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -4.31 | Relay (... Calculated Property | |
| logPoct/wat | 3.671 | Crippen Calculated Property | |
| McVol | 242.570 | ml/mol | McGowan Calculated Property |
| Pc | 2064.24 | kPa | Joback Calculated Property |
| Tboil | 633.39 | K | Relay (... Calculated Property |
| Tc | 920.47 | K | Relay (... Calculated Property |
| Tfus | 443.90 | K | Relay (... Calculated Property |
| Vc | 0.883 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [875.45; 1016.09] | J/mol×K | [857.40; 1073.36] | 
|
| Cp,gas | 875.45 | J/mol×K | 857.40 | Joback Calculated Property |
| Cp,gas | 897.54 | J/mol×K | 893.39 | Joback Calculated Property |
| Cp,gas | 919.80 | J/mol×K | 929.39 | Joback Calculated Property |
| Cp,gas | 942.52 | J/mol×K | 965.38 | Joback Calculated Property |
| Cp,gas | 965.95 | J/mol×K | 1001.38 | Joback Calculated Property |
| Cp,gas | 990.39 | J/mol×K | 1037.37 | Joback Calculated Property |
| Cp,gas | 1016.09 | J/mol×K | 1073.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androst-5-ene-3,17-diol, (3«beta»,17«alpha»)-.
Sources
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