- InChI
- InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3
- InChI Key
- HCFSGRMEEXUOSS-UHFFFAOYSA-N
- Formula
- C23H32O2
- SMILES
-
CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=
O)CCC4(C)C3CCC21C - Molecular Weight1
- 340.51
- 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 | 0.5046 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | [-5.27; -5.27] |
|
|
| log10WS | -5.27 | Aq. Solubility Prediction | |
| log10WS | -5.27 | Estimated Solubility | |
| logPoct/wat | 5.280 | Crippen Calculated Property | |
| McVol | 286.030 | ml/mol | McGowan Calculated Property |
| Pc | 1511.67 | kPa | Joback Calculated Property |
| Tboil | 651.97 | K | Relay (1.0) Calculated Property |
| Tc | 947.49 | K | Relay (1.0) Calculated Property |
| Tfus | 454.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.999 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1008.98; 1225.35] | J/mol×K | [895.30; 1147.57] |
|
| Cp,gas | 1008.98 | J/mol×K | 895.30 | Joback Calculated Property |
| Cp,gas | 1039.84 | J/mol×K | 937.34 | Joback Calculated Property |
| Cp,gas | 1072.07 | J/mol×K | 979.39 | Joback Calculated Property |
| Cp,gas | 1106.22 | J/mol×K | 1021.43 | Joback Calculated Property |
| Cp,gas | 1142.79 | J/mol×K | 1063.48 | Joback Calculated Property |
| Cp,gas | 1182.33 | J/mol×K | 1105.52 | Joback Calculated Property |
| Cp,gas | 1225.35 | J/mol×K | 1147.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Medrogestone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
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