- InChI
- InChI=1S/C17H24O3/c18-10-2-4-11-9(7-10)1-3-13-12(11)5-6-14-15(13)8-16(19)17(14)20/h1,10-16,18-19H,2-8H2/t10-,11?,12?,13?,14?,15?,16+/m1/s1
- InChI Key
- YMRBSMNGYQGMRQ-SYCCPWCRSA-N
- Formula
- C17H24O3
- SMILES
-
O=C1C(O)CC2C1CCC1C3CCC(O)CC3=C
CC21 - Molecular Weight1
- 276.37
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6400 | Relay (... Calculated Property | |
| ΔfG° | -124.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.17 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -3.10 | Relay (... Calculated Property | |
| logPoct/wat | 2.070 | Crippen Calculated Property | |
| McVol | 215.960 | ml/mol | McGowan Calculated Property |
| Pc | 2347.36 | kPa | Joback Calculated Property |
| Inp | [2774.00; 2774.00] |
|
|
| Inp | 2774.00 | NIST | |
| Inp | 2774.00 | NIST | |
| Tboil | 640.04 | K | Relay (... Calculated Property |
| Tc | 952.17 | K | Relay (... Calculated Property |
| Tfus | 493.12 | K | Relay (... Calculated Property |
| Vc | 0.781 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.70; 877.85] | J/mol×K | [878.98; 1098.15] |
|
| Cp,gas | 796.70 | J/mol×K | 878.98 | Joback Calculated Property |
| Cp,gas | 813.07 | J/mol×K | 915.51 | Joback Calculated Property |
| Cp,gas | 828.21 | J/mol×K | 952.04 | Joback Calculated Property |
| Cp,gas | 842.18 | J/mol×K | 988.56 | Joback Calculated Property |
| Cp,gas | 855.07 | J/mol×K | 1025.09 | Joback Calculated Property |
| Cp,gas | 866.93 | J/mol×K | 1061.62 | Joback Calculated Property |
| Cp,gas | 877.85 | J/mol×K | 1098.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«beta»,16a-dihydroxy-5-androstene-17-one.
Sources
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