- InChI
- InChI=1S/C21H30O4/c1-19-9-6-14(22)12-13(19)4-5-15-16(19)7-10-20(2)17(15)8-11-21(20,24)18(23)25-3/h12,15-17,24H,4-11H2,1-3H3/t15?,16?,17?,19-,20-,21-/m1/s1
- InChI Key
- WXDZUZBIHKMPLD-YUXGLXIYSA-N
- Formula
- C21H30O4
- SMILES
-
COC(=O)C1(O)CCC2C3CCC4=CC(=O)C
CC4(C)C3CCC21C - Molecular Weight1
- 346.46
- 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° | -196.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -699.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.82 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 3.422 | Crippen Calculated Property | |
| McVol | 273.890 | ml/mol | McGowan Calculated Property |
| Pc | 1848.33 | kPa | Joback Calculated Property |
| Inp | 2805.00 | NIST | |
| Tboil | 960.00 | K | Joback Calculated Property |
| Tc | 1200.61 | K | Joback Calculated Property |
| Tfus | 658.29 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1026.43; 1246.21] | J/mol×K | [960.00; 1200.61] | 
|
| Cp,gas | 1026.43 | J/mol×K | 960.00 | Joback Calculated Property |
| Cp,gas | 1056.95 | J/mol×K | 1000.10 | Joback Calculated Property |
| Cp,gas | 1089.33 | J/mol×K | 1040.20 | Joback Calculated Property |
| Cp,gas | 1124.00 | J/mol×K | 1080.31 | Joback Calculated Property |
| Cp,gas | 1161.42 | J/mol×K | 1120.41 | Joback Calculated Property |
| Cp,gas | 1202.01 | J/mol×K | 1160.51 | Joback Calculated Property |
| Cp,gas | 1246.21 | J/mol×K | 1200.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 17A-hydroxy-3-oxoandrost-4-ene-17B-carboxylate.
Sources
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