- InChI
- InChI=1S/C21H34O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+/m0/s1
- InChI Key
- QRRJQHVSHGOFLL-HOLKMYPKSA-N
- Formula
- C21H34O2
- SMILES
-
CC(=O)OC1CCC2C3CCC4CCCCC4(C)C3
CCC12C - Molecular Weight1
- 318.49
- CAS
- 1236-49-3
- Other Names
-
- 5«alpha»-Androstan-17«beta»-ol, acetate
- 17«beta»-Acetoxy-5«alpha»-androstane
- 17«beta»-Hydroxy-5«alpha»-androstane acetate
- Androstan-17-yl acetate, (5«alpha»,17«beta»)-
- 17Beta-acetoxy-5alpha-androstane
- 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 | 0.5114 | Relay (... Calculated Property | |
| ΔfG° | 40.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.45 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.92 | eV | Relay (... Calculated Property |
| log10WS | -5.80 | Relay (... Calculated Property | |
| logPoct/wat | 5.351 | Crippen Calculated Property | |
| McVol | 270.750 | ml/mol | McGowan Calculated Property |
| Pc | 1535.46 | kPa | Joback Calculated Property |
| Tboil | 631.69 | K | Relay (... Calculated Property |
| Tc | 907.00 | K | Relay (... Calculated Property |
| Tfus | 378.85 | K | Relay (... Calculated Property |
| Vc | 0.977 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [930.29; 1091.75] | J/mol×K | [790.95; 1027.01] | 
|
| Cp,gas | 930.29 | J/mol×K | 790.95 | Joback Calculated Property |
| Cp,gas | 957.69 | J/mol×K | 830.29 | Joback Calculated Property |
| Cp,gas | 984.44 | J/mol×K | 869.64 | Joback Calculated Property |
| Cp,gas | 1010.88 | J/mol×K | 908.98 | Joback Calculated Property |
| Cp,gas | 1037.35 | J/mol×K | 948.32 | Joback Calculated Property |
| Cp,gas | 1064.19 | J/mol×K | 987.66 | Joback Calculated Property |
| Cp,gas | 1091.75 | J/mol×K | 1027.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androstan-17-ol, acetate, (5«alpha»,17«beta»)-.
Sources
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