- InChI
- InChI=1S/C17H24O2/c18-11-2-4-12-10(9-11)1-3-14-13(12)5-6-16-15(14)7-8-17(16)19/h1,11-16,18H,2-9H2/t11-,12?,13?,14?,15?,16?/m1/s1
- InChI Key
- RCKYROOPMBBTQK-WFWUXJIDSA-N
- Formula
- C17H24O2
- SMILES
-
O=C1CCC2C1CCC1C3CCC(O)CC3=CCC2
1 - Molecular Weight1
- 260.37
- 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 | 0.5626 | Relay (... Calculated Property | |
| ΔfG° | 20.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -410.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -3.66 | Relay (... Calculated Property | |
| logPoct/wat | 3.099 | Crippen Calculated Property | |
| McVol | 210.090 | ml/mol | McGowan Calculated Property |
| Pc | 2218.71 | kPa | Joback Calculated Property |
| Inp | 2597.00 | NIST | |
| Tboil | 636.88 | K | Relay (... Calculated Property |
| Tc | 923.58 | K | Relay (... Calculated Property |
| Tfus | 451.35 | K | Relay (... Calculated Property |
| Vc | 0.751 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.36; 828.37] | J/mol×K | [791.47; 1021.16] | 
|
| Cp,gas | 728.36 | J/mol×K | 791.47 | Joback Calculated Property |
| Cp,gas | 748.42 | J/mol×K | 829.75 | Joback Calculated Property |
| Cp,gas | 767.00 | J/mol×K | 868.03 | Joback Calculated Property |
| Cp,gas | 784.20 | J/mol×K | 906.32 | Joback Calculated Property |
| Cp,gas | 800.11 | J/mol×K | 944.60 | Joback Calculated Property |
| Cp,gas | 814.80 | J/mol×K | 982.88 | Joback Calculated Property |
| Cp,gas | 828.37 | J/mol×K | 1021.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dehydroepiandrosterone, 3«beta»-hydroxy-5-androstene-17-one.
Sources
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