- InChI
- InChI=1S/C32H48O12/c1-16-12-30-15-31(16,41-9)11-10-19(30)32-13-17(25(39-7)29(2,28(34)44-32)24(32)20(30)26(33)40-8)42-27-23(38-6)22(37-5)21(36-4)18(43-27)14-35-3/h17-25,27H,1,10-15H2,2-9H3/t17-,18+,19+,20+,21+,22-,23+,24+,25-,27+,29-,30-,31-,32+/m1/s1
- InChI Key
- WEKFXKXVNOXNFG-KEOSLNLUSA-N
- Formula
- C32H48O12
- SMILES
-
C=C1CC23CC1(OC)CCC2C12CC(OC4OC
(COC)C(OC)C(OC)C4OC)C(OC)C(C)( C(=O)O1)C2C3C(=O)OC - Molecular Weight1
- 624.72
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8781 | Relay (... Calculated Property | |
| ΔfG° | -771.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1866.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 65.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 150.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -2.73 | Relay (... Calculated Property | |
| logPoct/wat | 2.059 | Crippen Calculated Property | |
| McVol | 454.120 | ml/mol | McGowan Calculated Property |
| Pc | 813.53 | kPa | Joback Calculated Property |
| Inp | [3640.00; 3640.00] |
|
|
| Inp | 3640.00 | NIST | |
| Inp | 3640.00 | NIST | |
| Tboil | 795.12 | K | Relay (... Calculated Property |
| Tc | 1113.47 | K | Relay (... Calculated Property |
| Tfus | 409.21 | K | Relay (... Calculated Property |
| Vc | 1.711 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2194.28; 2867.50] | J/mol×K | [1311.06; 1619.09] |
|
| Cp,gas | 2194.28 | J/mol×K | 1311.06 | Joback Calculated Property |
| Cp,gas | 2282.46 | J/mol×K | 1362.40 | Joback Calculated Property |
| Cp,gas | 2378.98 | J/mol×K | 1413.74 | Joback Calculated Property |
| Cp,gas | 2484.79 | J/mol×K | 1465.08 | Joback Calculated Property |
| Cp,gas | 2600.84 | J/mol×K | 1516.41 | Joback Calculated Property |
| Cp,gas | 2728.10 | J/mol×K | 1567.75 | Joback Calculated Property |
| Cp,gas | 2867.50 | J/mol×K | 1619.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to GA8-2«beta»-O-glucoside, permethylated.
Sources
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