- InChI
- InChI=1S/C31H44O11/c1-16-13-29-15-30(16,41-26-23(38-7)22(37-6)21(36-5)17(40-26)14-34-3)11-9-18(29)31-12-10-19(35-4)28(2,27(33)42-31)24(31)20(29)25(32)39-8/h10,12,17-24,26H,1,9,11,13-15H2,2-8H3/t17-,18-,19+,20-,21-,22+,23-,24-,26+,28-,29+,30+,31-/m0/s1
- InChI Key
- LNVOHHIQKUEONS-VWAQXLAKSA-N
- Formula
- C31H44O11
- SMILES
-
C=C1CC23CC1(OC1OC(COC)C(OC)C(O
C)C1OC)CCC2C12C=CC(OC)C(C)(C(= O)O1)C2C3C(=O)OC - Molecular Weight1
- 592.67
- 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° | -637.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1656.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 2.210 | Crippen Calculated Property | |
| McVol | 429.860 | ml/mol | McGowan Calculated Property |
| Pc | 905.06 | kPa | Joback Calculated Property |
| Inp | 3515.00 | NIST | |
| Tboil | 1269.59 | K | Joback Calculated Property |
| Tc | 1558.60 | K | Joback Calculated Property |
| Tfus | 936.43 | K | Joback Calculated Property |
| Vc | 1.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2021.95; 2630.16] | J/mol×K | [1269.59; 1558.60] | 
|
| Cp,gas | 2021.95 | J/mol×K | 1269.59 | Joback Calculated Property |
| Cp,gas | 2101.70 | J/mol×K | 1317.76 | Joback Calculated Property |
| Cp,gas | 2188.98 | J/mol×K | 1365.93 | Joback Calculated Property |
| Cp,gas | 2284.63 | J/mol×K | 1414.10 | Joback Calculated Property |
| Cp,gas | 2389.48 | J/mol×K | 1462.27 | Joback Calculated Property |
| Cp,gas | 2504.38 | J/mol×K | 1510.43 | Joback Calculated Property |
| Cp,gas | 2630.16 | J/mol×K | 1558.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to GA3-13-O-glucoside, permethylated.
Sources
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