- InChI
- InChI=1S/C22H32O3/c1-13(23)17-7-8-18-16-6-5-14-11-15(24)9-10-21(14,2)20(16)19(25-4)12-22(17,18)3/h11,16-20H,5-10,12H2,1-4H3
- InChI Key
- IIAUVJAANFPGEA-UHFFFAOYSA-N
- Formula
- C22H32O3
- SMILES
-
COC1CC2(C)C(C(C)=O)CCC2C2CCC3=
CC(=O)CCC3(C)C12 - Molecular Weight1
- 344.49
- Other Names
-
- (11«alpha»)-11-Methoxypregn-4-ene-3,20-dione
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -53.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 4.348 | Crippen Calculated Property | |
| McVol | 282.110 | ml/mol | McGowan Calculated Property |
| Pc | 1488.44 | kPa | Joback Calculated Property |
| Inp | 3015.70 | NIST | |
| Tboil | 885.79 | K | Joback Calculated Property |
| Tc | 1129.77 | K | Joback Calculated Property |
| Tfus | 580.60 | K | Joback Calculated Property |
| Vc | 1.065 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1012.39; 1182.06] | J/mol×K | [885.79; 1129.77] | 
|
| Cp,gas | 1012.39 | J/mol×K | 885.79 | Joback Calculated Property |
| Cp,gas | 1039.66 | J/mol×K | 926.45 | Joback Calculated Property |
| Cp,gas | 1066.89 | J/mol×K | 967.12 | Joback Calculated Property |
| Cp,gas | 1094.43 | J/mol×K | 1007.78 | Joback Calculated Property |
| Cp,gas | 1122.58 | J/mol×K | 1048.44 | Joback Calculated Property |
| Cp,gas | 1151.68 | J/mol×K | 1089.11 | Joback Calculated Property |
| Cp,gas | 1182.06 | J/mol×K | 1129.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11«alpha»-Hydroxyprogesterone, methyl ether.
Sources
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