- InChI
- InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m1/s1
- InChI Key
- ZESRJSPZRDMNHY-VQBCACJISA-N
- Formula
- C21H30O3
- SMILES
-
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(
C(=O)CO)CCC12 - Molecular Weight1
- 330.46
- CAS
- 64-85-7
- Other Names
-
- 11-Dehydroxycorticosterone
- 11-Deoxycorticosterone
- 11-Desoxycorticosterone
- 21-Hydroxypregn-4-ene-3,20-dione
- 21-Hydroxyprogesterone
- 4-Pregnen-21-ol-3,20-dione
- Cortexone
- Corticosterone, 11-deoxy-
- DOC
- Deoxycortone
- Desoxycorticosterone
- Desoxycortone
- Kendall's Desoxy compound B
- NSC 11319
- Pregn-4-ene-3,20-dione, 21-hydroxy-
- Progesterone, 21-hydroxy-
- Reichstein's substance Q
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | -12030.00 ± 4.00 | kJ/mol | NIST |
| ΔfG° | -85.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.56 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.59; -3.45] |
|
|
| log10WS | -3.59 | Aq. Sol... | |
| log10WS | -3.45 | Estimat... | |
| log10WS | -3.45 | Rytting... | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 268.020 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | 3106.60 | NIST | |
| Tboil | 937.34 | K | Joback Calculated Property |
| Tc | 1173.84 | K | Joback Calculated Property |
| Tfus | 414.82 | K | Aq. Sol... |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [990.08; 1159.85] | J/mol×K | [937.34; 1173.84] |
|
| Cp,gas | 990.08 | J/mol×K | 937.34 | Joback Calculated Property |
| Cp,gas | 1015.67 | J/mol×K | 976.76 | Joback Calculated Property |
| Cp,gas | 1041.90 | J/mol×K | 1016.17 | Joback Calculated Property |
| Cp,gas | 1069.11 | J/mol×K | 1055.59 | Joback Calculated Property |
| Cp,gas | 1097.62 | J/mol×K | 1095.00 | Joback Calculated Property |
| Cp,gas | 1127.76 | J/mol×K | 1134.42 | Joback Calculated Property |
| Cp,gas | 1159.85 | J/mol×K | 1173.84 | Joback Calculated Property |
| ΔfusH | 27.98 | kJ/mol | 414.00 | NIST |
Similar Compounds
Find more compounds similar to Deoxycorticosterone.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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