- InChI
- InChI=1S/C31H46O11/c1-15-12-30-13-16(15)11-17(40-27-23(38-7)22(37-6)21(36-5)18(41-27)14-34-3)24(30)31-10-9-19(35-4)29(2,28(33)42-31)25(31)20(30)26(32)39-8/h16-25,27H,1,9-14H2,2-8H3/t16?,17-,18+,19-,20+,21+,22-,23+,24+,25+,27+,29+,30+,31+/m1/s1
- InChI Key
- FGUYIUWNDHCIDU-SRGZBCOLSA-N
- Formula
- C31H46O11
- SMILES
-
C=C1CC23CC1CC(OC1OC(COC)C(OC)C
(OC)C1OC)C2C12CCC(OC)C(C)(C(=O )O1)C2C3C(=O)OC - Molecular Weight1
- 594.69
- 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 | 0.8462 | Relay (... Calculated Property | |
| ΔfG° | -669.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1740.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 68.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 148.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -3.22 | Relay (... Calculated Property | |
| logPoct/wat | 2.290 | Crippen Calculated Property | |
| McVol | 434.160 | ml/mol | McGowan Calculated Property |
| Pc | 846.03 | kPa | Joback Calculated Property |
| Inp | 3415.00 | NIST | |
| Tboil | 784.18 | K | Relay (... Calculated Property |
| Tc | 1103.52 | K | Relay (... Calculated Property |
| Tfus | 414.70 | K | Relay (... Calculated Property |
| Vc | 1.622 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1983.29; 2411.90] | J/mol×K | [1265.52; 1556.47] | 
|
| Cp,gas | 1983.29 | J/mol×K | 1265.52 | Joback Calculated Property |
| Cp,gas | 2042.27 | J/mol×K | 1314.01 | Joback Calculated Property |
| Cp,gas | 2105.39 | J/mol×K | 1362.50 | Joback Calculated Property |
| Cp,gas | 2173.28 | J/mol×K | 1410.99 | Joback Calculated Property |
| Cp,gas | 2246.58 | J/mol×K | 1459.48 | Joback Calculated Property |
| Cp,gas | 2325.91 | J/mol×K | 1507.97 | Joback Calculated Property |
| Cp,gas | 2411.90 | J/mol×K | 1556.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to GA35-11«beta»-O-glucoside, permethylated.
Sources
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