- InChI
- InChI=1S/C20H24O3/c1-20-7-6-15-14-5-3-13(21)8-11(14)2-4-16(15)17(20)9-12-10-18(22)23-19(12)20/h3,5,8,12,15-17,19,21H,2,4,6-7,9-10H2,1H3
- InChI Key
- FKUBBKBYUHOFTK-UHFFFAOYSA-N
- Formula
- C20H24O3
- SMILES
-
CC12CCC3c4ccc(O)cc4CCC3C1CC1CC
(=O)OC12 - Molecular Weight1
- 312.40
- CAS
- 95696-45-0
- 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 | 0.6857 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 238.770 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Tboil | 704.37 | K | Relay (1.0) Calculated Property |
| Tc | 1007.73 | K | Relay (1.0) Calculated Property |
| Tfus | 459.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.85; 1007.38] | J/mol×K | [890.45; 1154.59] | 
|
| Cp,gas | 854.85 | J/mol×K | 890.45 | Joback Calculated Property |
| Cp,gas | 878.33 | J/mol×K | 934.47 | Joback Calculated Property |
| Cp,gas | 902.03 | J/mol×K | 978.50 | Joback Calculated Property |
| Cp,gas | 926.37 | J/mol×K | 1022.52 | Joback Calculated Property |
| Cp,gas | 951.76 | J/mol×K | 1066.55 | Joback Calculated Property |
| Cp,gas | 978.62 | J/mol×K | 1110.57 | Joback Calculated Property |
| Cp,gas | 1007.38 | J/mol×K | 1154.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone.
Sources
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