- InChI
- InChI=1S/C19H30O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h12,14-17,21H,3-11H2,1-2H3/t12-,14?,15?,16?,17?,18?,19-/m1/s1
- InChI Key
- MDXRCPMWSFWIEZ-TZOPXNHMSA-N
- Formula
- C19H30O2
- SMILES
-
CC1(O)CCC2C3CCC4CC(=O)CCC4C3CC
C21C - Molecular Weight1
- 290.44
- 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° | -1.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 3.959 | Crippen Calculated Property | |
| McVol | 242.570 | ml/mol | McGowan Calculated Property |
| Pc | 1925.36 | kPa | Joback Calculated Property |
| Inp | 2425.00 | NIST | |
| Tboil | 828.90 | K | Joback Calculated Property |
| Tc | 1062.98 | K | Joback Calculated Property |
| Tfus | 522.17 | K | Joback Calculated Property |
| Vc | 0.906 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.61; 1022.62] | J/mol×K | [828.90; 1062.98] | 
|
| Cp,gas | 870.61 | J/mol×K | 828.90 | Joback Calculated Property |
| Cp,gas | 895.49 | J/mol×K | 867.91 | Joback Calculated Property |
| Cp,gas | 920.14 | J/mol×K | 906.93 | Joback Calculated Property |
| Cp,gas | 944.87 | J/mol×K | 945.94 | Joback Calculated Property |
| Cp,gas | 969.98 | J/mol×K | 984.95 | Joback Calculated Property |
| Cp,gas | 995.80 | J/mol×K | 1023.97 | Joback Calculated Property |
| Cp,gas | 1022.62 | J/mol×K | 1062.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5A-Estran-3-on-17B-ol, 17A-methyl.
Sources
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