- InChI
- InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3
- InChI Key
- ALEXXDVDDISNDU-UHFFFAOYSA-N
- Formula
- C23H32O6
- SMILES
-
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=C
C(=O)CCC4(C)C3C(O)CC21C - Molecular Weight1
- 404.50
- CAS
- 61376-87-2
- 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).
- 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° | -453.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1026.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 2.352 | Crippen Calculated Property | |
| McVol | 309.510 | ml/mol | McGowan Calculated Property |
| Pc | 1741.91 | kPa | Joback Calculated Property |
| Tboil | 1147.14 | K | Joback Calculated Property |
| Tc | 1404.43 | K | Joback Calculated Property |
| Tfus | 787.34 | K | Joback Calculated Property |
| Vc | 1.163 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1308.14; 1659.18] | J/mol×K | [1147.14; 1404.43] | 
|
| Cp,gas | 1308.14 | J/mol×K | 1147.14 | Joback Calculated Property |
| Cp,gas | 1354.32 | J/mol×K | 1190.02 | Joback Calculated Property |
| Cp,gas | 1404.71 | J/mol×K | 1232.90 | Joback Calculated Property |
| Cp,gas | 1459.86 | J/mol×K | 1275.78 | Joback Calculated Property |
| Cp,gas | 1520.29 | J/mol×K | 1318.67 | Joback Calculated Property |
| Cp,gas | 1586.56 | J/mol×K | 1361.55 | Joback Calculated Property |
| Cp,gas | 1659.18 | J/mol×K | 1404.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate.
Sources
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