- InChI
- InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,18?,19?,20?,21-/m1/s1
- InChI Key
- XOFYZVNMUHMLCC-NUBBXXJJSA-N
- Formula
- C21H26O5
- SMILES
-
CC12C=CC(=O)C=C1CCC1C2C(=O)CC2
(C)C1CCC2(O)C(=O)CO - Molecular Weight1
- 358.43
- CAS
- 53-03-2
- Other Names
-
- Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-
- «DELTA»-Cortisone
- «DELTA»1-Dehydrocortisone
- «DELTA»1-Cortisone
- Delta-E
- Ancortone
- Bicortone
- Colisone
- Cortidelt
- Dacortin
- Decortancyl
- Decortisyl
- Dehydrocortisone
- Dekortin
- Delta-Cortelan
- Deltacortisone
- Deltacortone
- Deltasone
- Deltison
- Deltisone
- Deltra
- Di-Adreson
- Encorton
- Encortone
- Enkorton
- Hostacortin
- Metacortandracin
- Meticorten
- NSC 10023
- Paracort
- Prednison
- Prednizon
- Rectodelt
- Supercortil
- Ultracorten
- Ultracortene
- 1-Dehydrocortisone
- 1,2-Dehydrocortisone
- Cortan
- Cotone
- Decortin
- Delta-Dome
- In-Sone
- Juvason
- Lisacort
- NCI-C04897
- Orasone
- Prednicen-M
- Prednilonga
- Servisone
- SK-Prednisone
- U 6020
- Wojtab
- Zenadrid
- 1,4-Pregnadiene-17«alpha»,21-diol-3,11,20-trione
- 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione
- 17«alpha»,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione
- Adasone
- Cartancyl
- Deltisona
- Fernisone
- Panafcort
- Winpred
- Nurison
- Sterapred
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7879 | Relay (... Calculated Property | |
| ΔfG° | -320.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.76 | eV | Relay (... Calculated Property |
| log10WS | -3.59 | Relay (... Calculated Property | |
| logPoct/wat | 1.766 | Crippen Calculated Property | |
| McVol | 271.160 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | 2651.00 | NIST | |
| Tboil | 675.04 | K | Relay (... Calculated Property |
| Tc | 1021.98 | K | Relay (... Calculated Property |
| Tfus | 495.21 | K | Relay (... Calculated Property |
| Vc | 0.932 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1103.96; 1400.20] | J/mol×K | [1096.74; 1347.58] | 
|
| Cp,gas | 1103.96 | J/mol×K | 1096.74 | Joback Calculated Property |
| Cp,gas | 1142.88 | J/mol×K | 1138.55 | Joback Calculated Property |
| Cp,gas | 1185.34 | J/mol×K | 1180.35 | Joback Calculated Property |
| Cp,gas | 1231.82 | J/mol×K | 1222.16 | Joback Calculated Property |
| Cp,gas | 1282.80 | J/mol×K | 1263.97 | Joback Calculated Property |
| Cp,gas | 1338.77 | J/mol×K | 1305.77 | Joback Calculated Property |
| Cp,gas | 1400.20 | J/mol×K | 1347.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Prednisone.
Sources
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