- InChI
- InChI=1S/C19H30O5/c20-9-17(23)19(24)6-5-13-14-3-1-10-7-11(21)2-4-12(10)18(14)16(22)8-15(13)19/h10-16,18,20-22,24H,1-9H2/t10-,11+,12?,13?,14?,15?,16-,18?,19+/m1/s1
- InChI Key
- ZOOTXDVRRFYUOX-YWWCMZMESA-N
- Formula
- C19H30O5
- SMILES
-
O=C(CO)C1(O)CCC2C3CCC4CC(O)CCC
4C3C(O)CC21 - Molecular Weight1
- 338.44
- 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° | -428.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -983.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 0.873 | Crippen Calculated Property | |
| McVol | 260.180 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | 3040.00 | NIST | |
| Tboil | 1081.91 | K | Joback Calculated Property |
| Tc | 1329.06 | K | Joback Calculated Property |
| Tfus | 653.96 | K | Joback Calculated Property |
| Vc | 0.963 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1076.43; 1227.50] | J/mol×K | [1081.91; 1329.06] | 
|
| Cp,gas | 1076.43 | J/mol×K | 1081.91 | Joback Calculated Property |
| Cp,gas | 1099.24 | J/mol×K | 1123.10 | Joback Calculated Property |
| Cp,gas | 1122.63 | J/mol×K | 1164.29 | Joback Calculated Property |
| Cp,gas | 1146.88 | J/mol×K | 1205.49 | Joback Calculated Property |
| Cp,gas | 1172.26 | J/mol×K | 1246.68 | Joback Calculated Property |
| Cp,gas | 1199.04 | J/mol×K | 1287.87 | Joback Calculated Property |
| Cp,gas | 1227.50 | J/mol×K | 1329.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»,11«beta»,17«alpha»,21-tetrahydroxy-5«alpha»-pregnane-20-one.
Sources
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