- InChI
- InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3
- InChI Key
- FWCXELAAYFYCSR-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C
(O)CC5(C)C4CCC3(C)C1C2C - Molecular Weight1
- 432.64
- CAS
- 6811-13-8
- 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° | -60.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.14 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 4.765 | Crippen Calculated Property | |
| McVol | 349.610 | ml/mol | McGowan Calculated Property |
| Pc | 1289.29 | kPa | Joback Calculated Property |
| Tboil | 1093.78 | K | Joback Calculated Property |
| Tc | 1340.02 | K | Joback Calculated Property |
| Tfus | 693.85 | K | Joback Calculated Property |
| Vc | 1.300 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1545.31; 1893.10] | J/mol×K | [1093.78; 1340.02] | 
|
| Cp,gas | 1545.31 | J/mol×K | 1093.78 | Joback Calculated Property |
| Cp,gas | 1592.37 | J/mol×K | 1134.82 | Joback Calculated Property |
| Cp,gas | 1643.02 | J/mol×K | 1175.86 | Joback Calculated Property |
| Cp,gas | 1697.83 | J/mol×K | 1216.90 | Joback Calculated Property |
| Cp,gas | 1757.40 | J/mol×K | 1257.94 | Joback Calculated Property |
| Cp,gas | 1822.30 | J/mol×K | 1298.98 | Joback Calculated Property |
| Cp,gas | 1893.10 | J/mol×K | 1340.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Gitogenin.
Sources
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