- InChI
- InChI=1S/C30H44O10/c1-15-12-29-13-16(15)8-9-18(29)30-11-10-19(28(2,27(32)40-30)24(30)20(29)25(31)37-7)39-26-23(36-6)22(35-5)21(34-4)17(38-26)14-33-3/h16-24,26H,1,8-14H2,2-7H3/t16?,17-,18-,19+,20-,21-,22+,23-,24-,26+,28-,29+,30-/m0/s1
- InChI Key
- SLPPINDFMDFPTC-ACYHDOQYSA-N
- Formula
- C30H44O10
- SMILES
-
C=C1CC23CC1CCC2C12CCC(OC4OC(CO
C)C(OC)C(OC)C4OC)C(C)(C(=O)O1) C2C3C(=O)OC - Molecular Weight1
- 564.66
- 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 | 0.8106 | Relay (... Calculated Property | |
| ΔfG° | -565.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1586.89 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 63.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 146.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -3.72 | Relay (... Calculated Property | |
| logPoct/wat | 2.665 | Crippen Calculated Property | |
| McVol | 414.200 | ml/mol | McGowan Calculated Property |
| Pc | 922.74 | kPa | Joback Calculated Property |
| Inp | [3440.00; 3440.00] |
|
|
| Inp | 3440.00 | NIST | |
| Inp | 3440.00 | NIST | |
| Tboil | 772.51 | K | Relay (... Calculated Property |
| Tc | 1087.48 | K | Relay (... Calculated Property |
| Tfus | 404.28 | K | Relay (... Calculated Property |
| Vc | 1.551 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1862.19; 2263.79] | J/mol×K | [1224.89; 1501.05] |
|
| Cp,gas | 1862.19 | J/mol×K | 1224.89 | Joback Calculated Property |
| Cp,gas | 1917.43 | J/mol×K | 1270.92 | Joback Calculated Property |
| Cp,gas | 1976.57 | J/mol×K | 1316.94 | Joback Calculated Property |
| Cp,gas | 2040.20 | J/mol×K | 1362.97 | Joback Calculated Property |
| Cp,gas | 2108.89 | J/mol×K | 1409.00 | Joback Calculated Property |
| Cp,gas | 2183.23 | J/mol×K | 1455.02 | Joback Calculated Property |
| Cp,gas | 2263.79 | J/mol×K | 1501.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to GA4-3«beta»-O-glucoside, permethylated.
Sources
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