- InChI
- InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-19,23H,5-12H2,1-3H3
- InChI Key
- OQHMNEGOKQMOFM-UHFFFAOYSA-N
- Formula
- C21H32O3
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(
C)C(O)CCC32)C1 - Molecular Weight1
- 332.48
- CAS
- 1639-43-6
- Other Names
-
- Androst-5-ene-3«beta»,17«beta»-diol, 3-acetate
- Androstenediol 3-acetate
- 3«beta»-Acetoxy-5-androsten-17«beta»-ol
- 17-Hydroxyandrost-5-en-3-yl acetate, (3«beta»,17«beta»)-
- 3Beta-acetoxy-5-androsten-17beta-ol
- 17«beta»-hydroxyandrost-5-ene-3«beta»-yl acetate
- 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 | 0.6077 | Relay (... Calculated Property | |
| ΔfG° | -76.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.28 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.25 | eV | Relay (... Calculated Property |
| log10WS | -4.37 | Relay (... Calculated Property | |
| logPoct/wat | 4.242 | Crippen Calculated Property | |
| McVol | 272.320 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Tboil | 639.84 | K | Relay (... Calculated Property |
| Tc | 926.72 | K | Relay (... Calculated Property |
| Tfus | 434.40 | K | Relay (... Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [982.61; 1138.70] | J/mol×K | [887.27; 1112.74] | 
|
| Cp,gas | 982.61 | J/mol×K | 887.27 | Joback Calculated Property |
| Cp,gas | 1007.12 | J/mol×K | 924.85 | Joback Calculated Property |
| Cp,gas | 1031.85 | J/mol×K | 962.43 | Joback Calculated Property |
| Cp,gas | 1057.07 | J/mol×K | 1000.01 | Joback Calculated Property |
| Cp,gas | 1083.09 | J/mol×K | 1037.58 | Joback Calculated Property |
| Cp,gas | 1110.21 | J/mol×K | 1075.16 | Joback Calculated Property |
| Cp,gas | 1138.70 | J/mol×K | 1112.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androst-5-ene-3,17-diol, 3-acetate, (3«beta»,17«beta»)-.
Sources
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