- InChI
- InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3
- InChI Key
- WGYHVQYXJNPQAA-UHFFFAOYSA-N
- Formula
- C21H32O3
- SMILES
-
COC(=O)C1CCC2C3CC=C4CC(O)CCC4(
C)C3CCC12C - Molecular Weight1
- 332.48
- CAS
- 200263-91-8
- 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° | -76.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 4.099 | Crippen Calculated Property | |
| McVol | 272.320 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Tboil | 887.27 | K | Joback Calculated Property |
| Tc | 1112.74 | K | Joback Calculated Property |
| Tfus | 561.93 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [982.61; 1138.70] | J/mol×K | [887.27; 1112.74] | 
|
| Cp,gas | 982.61 | J/mol×K | 887.27 | Joback Calculated Property |
| Cp,gas | 1007.12 | J/mol×K | 924.85 | Joback Calculated Property |
| Cp,gas | 1031.85 | J/mol×K | 962.43 | Joback Calculated Property |
| Cp,gas | 1057.07 | J/mol×K | 1000.01 | Joback Calculated Property |
| Cp,gas | 1083.09 | J/mol×K | 1037.58 | Joback Calculated Property |
| Cp,gas | 1110.21 | J/mol×K | 1075.16 | Joback Calculated Property |
| Cp,gas | 1138.70 | J/mol×K | 1112.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androst-5-ene-17-carboxylic acid, 3beta-hydroxy-, methyl ester.
Sources
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