- InChI
- InChI=1S/C27H40O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h12,18-20,23,29,32H,6-11,13-15H2,1-5H3
- InChI Key
- FNFPHNZQOKBKHN-UHFFFAOYSA-N
- Formula
- C27H40O6
- SMILES
-
CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2
C3CCC4=CC(=O)CCC4(C)C3C(O)CC21 C - Molecular Weight1
- 460.61
- 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° | -416.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1117.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.99 | kJ/mol | Joback Calculated Property |
| log10WS | -5.51 | Aq. Sol... | |
| logPoct/wat | 3.769 | Crippen Calculated Property | |
| McVol | 365.870 | ml/mol | McGowan Calculated Property |
| Pc | 1311.80 | kPa | Joback Calculated Property |
| Tboil | 1235.43 | K | Joback Calculated Property |
| Tc | 1518.30 | K | Joback Calculated Property |
| Tfus | 834.84 | K | Joback Calculated Property |
| Vc | 1.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1635.64; 2147.46] | J/mol×K | [1235.43; 1518.30] | 
|
| Cp,gas | 1635.64 | J/mol×K | 1235.43 | Joback Calculated Property |
| Cp,gas | 1701.29 | J/mol×K | 1282.58 | Joback Calculated Property |
| Cp,gas | 1773.76 | J/mol×K | 1329.72 | Joback Calculated Property |
| Cp,gas | 1853.82 | J/mol×K | 1376.87 | Joback Calculated Property |
| Cp,gas | 1942.26 | J/mol×K | 1424.01 | Joback Calculated Property |
| Cp,gas | 2039.88 | J/mol×K | 1471.16 | Joback Calculated Property |
| Cp,gas | 2147.46 | J/mol×K | 1518.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hydrocortisone tebutate.
Sources
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