- InChI
- InChI=1S/C19H30O4/c20-9-18(23)14-6-5-13-15-3-1-10-7-11(21)2-4-12(10)19(15)17(22)8-16(13)14/h10-17,19-22H,1-9H2/t10-,11-,12?,13?,14?,15?,16?,17+,19?/m0/s1
- InChI Key
- YIURNAFXNWMMCO-VFFFOYLWSA-N
- Formula
- C19H30O4
- SMILES
-
O=C(CO)C1CCC2C1CC(O)C1C3CCC(O)
CC3CCC21 - Molecular Weight1
- 322.44
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -286.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.96 | Crippen Calculated Property | |
| logPoct/wat | 1.758 | Crippen Calculated Property | |
| McVol | 254.310 | ml/mol | McGowan Calculated Property |
| Pc | 2023.58 | kPa | Joback Calculated Property |
| Inp | 3000.00 | NIST | |
| Tboil | 989.49 | K | Joback Calculated Property |
| Tc | 1211.68 | K | Joback Calculated Property |
| Tfus | 569.24 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1001.23; 1079.45] | J/mol×K | [989.49; 1211.68] | 
|
| Cp,gas | 1001.23 | J/mol×K | 989.49 | Joback Calculated Property |
| Cp,gas | 1016.67 | J/mol×K | 1026.52 | Joback Calculated Property |
| Cp,gas | 1031.01 | J/mol×K | 1063.55 | Joback Calculated Property |
| Cp,gas | 1044.35 | J/mol×K | 1100.59 | Joback Calculated Property |
| Cp,gas | 1056.80 | J/mol×K | 1137.62 | Joback Calculated Property |
| Cp,gas | 1068.47 | J/mol×K | 1174.65 | Joback Calculated Property |
| Cp,gas | 1079.45 | J/mol×K | 1211.68 | Joback Calculated Property |
| η | [0.0000176; 0.0008992] | Pa×s | [569.24; 989.49] |
|
| η | 0.0008992 | Pa×s | 569.24 | Joback Calculated Property |
| η | 0.0003261 | Pa×s | 639.28 | Joback Calculated Property |
| η | 0.0001445 | Pa×s | 709.32 | Joback Calculated Property |
| η | 0.0000741 | Pa×s | 779.37 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 849.41 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 919.45 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 989.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»,11«beta»,21-trihydroxy-5«beta»-pregnane-20-one.
Sources
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