- InChI
- InChI=1S/C21H30O2/c1-4-23-15-9-11-20(2)14(13-15)5-6-16-17-7-8-19(22)21(17,3)12-10-18(16)20/h5,13,16-18H,4,6-12H2,1-3H3
- InChI Key
- PAOWPNQOTVTCAF-UHFFFAOYSA-N
- Formula
- C21H30O2
- SMILES
-
CCOC1=CC2=CCC3C4CCC(=O)C4(C)CC
C3C2(C)CC1 - Molecular Weight1
- 314.46
- CAS
- 972-46-3
- 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 | 0.4945 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.049 | Crippen Calculated Property | |
| McVol | 262.150 | ml/mol | McGowan Calculated Property |
| Pc | 1636.45 | kPa | Joback Calculated Property |
| Tboil | 633.72 | K | Relay (1.0) Calculated Property |
| Tc | 911.51 | K | Relay (1.0) Calculated Property |
| Tfus | 407.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.933 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [887.76; 1047.22] | J/mol×K | [822.52; 1068.06] | 
|
| Cp,gas | 887.76 | J/mol×K | 822.52 | Joback Calculated Property |
| Cp,gas | 913.80 | J/mol×K | 863.44 | Joback Calculated Property |
| Cp,gas | 939.59 | J/mol×K | 904.37 | Joback Calculated Property |
| Cp,gas | 965.48 | J/mol×K | 945.29 | Joback Calculated Property |
| Cp,gas | 991.82 | J/mol×K | 986.21 | Joback Calculated Property |
| Cp,gas | 1018.95 | J/mol×K | 1027.14 | Joback Calculated Property |
| Cp,gas | 1047.22 | J/mol×K | 1068.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androsta-3,5-dien-17-one,3-ethoxy-.
Sources
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