- InChI
- InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-
- InChI Key
- BOJKULTULYSRAS-ACAGNQJTSA-N
- Formula
- C20H30O5
- SMILES
-
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C
C=C1C(=O)OCC1O - Molecular Weight1
- 350.45
- CAS
- 5508-58-7
- Other Names
-
- (S,E)-4-hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one
- 2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-
- 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl]ethylidene]dihydro-4-hydroxyfuran-2(3H)-one
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.8405 | Relay (... Calculated Property | |
| ΔfG° | -327.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -3.14 | Relay (... Calculated Property | |
| logPoct/wat | 1.963 | Crippen Calculated Property | |
| McVol | 276.530 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| I | [2635.00; 2635.00] |
|
|
| I | 2635.00 | NIST | |
| I | 2635.00 | NIST | |
| Tboil | 700.05 | K | Relay (... Calculated Property |
| Tc | 1000.55 | K | Relay (... Calculated Property |
| Tfus | 420.92 | K | Relay (... Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1087.71; 1274.79] | J/mol×K | [1066.42; 1305.62] |
|
| Cp,gas | 1087.71 | J/mol×K | 1066.42 | Joback Calculated Property |
| Cp,gas | 1114.87 | J/mol×K | 1106.29 | Joback Calculated Property |
| Cp,gas | 1143.26 | J/mol×K | 1146.15 | Joback Calculated Property |
| Cp,gas | 1173.17 | J/mol×K | 1186.02 | Joback Calculated Property |
| Cp,gas | 1204.88 | J/mol×K | 1225.89 | Joback Calculated Property |
| Cp,gas | 1238.66 | J/mol×K | 1265.76 | Joback Calculated Property |
| Cp,gas | 1274.79 | J/mol×K | 1305.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Andrographolide.
Mixtures
- Methyl Alcohol + Andrographolide
- Ethanol + Andrographolide
- 1-Butanol + Andrographolide
- Acetone + Andrographolide
- Water + Andrographolide
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility of Andrographolide in Various Solvents from (288.2 to 323.2) K
- Joback Method
- McGowan Method
- NIST Webbook
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