- InChI
- InChI=1S/C20H26O4/c1-12(21)23-16-7-5-14-13-4-6-17-20(3,11-9-18(22)24-17)15(13)8-10-19(14,16)2/h6,8,13-14,16H,4-5,7,9-11H2,1-3H3
- InChI Key
- MAULLEFJDUURPT-UHFFFAOYSA-N
- Formula
- C20H26O4
- SMILES
-
CC(=O)OC1CCC2C3CC=C4OC(=O)CCC4
(C)C3=CCC12C - Molecular Weight1
- 330.42
- CAS
- 2455-42-7
- 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 | 0.5499 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.912 | Crippen Calculated Property | |
| McVol | 255.500 | ml/mol | McGowan Calculated Property |
| Pc | 1854.71 | kPa | Joback Calculated Property |
| Tboil | 652.66 | K | Relay (1.0) Calculated Property |
| Tc | 914.76 | K | Relay (1.0) Calculated Property |
| Tfus | 403.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.914 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.40; 1045.82] | J/mol×K | [880.46; 1131.82] | 
|
| Cp,gas | 886.40 | J/mol×K | 880.46 | Joback Calculated Property |
| Cp,gas | 911.06 | J/mol×K | 922.35 | Joback Calculated Property |
| Cp,gas | 936.01 | J/mol×K | 964.25 | Joback Calculated Property |
| Cp,gas | 961.60 | J/mol×K | 1006.14 | Joback Calculated Property |
| Cp,gas | 988.20 | J/mol×K | 1048.03 | Joback Calculated Property |
| Cp,gas | 1016.15 | J/mol×K | 1089.92 | Joback Calculated Property |
| Cp,gas | 1045.82 | J/mol×K | 1131.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androsta-5,9(11)-dien-3-one, 17beta-acetoxy-4-oxa-.
Sources
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