- InChI
- InChI=1S/C30H44O10/c1-16-13-28-15-29(16,39-25-22(36-6)21(35-5)20(34-4)17(38-25)14-33-3)12-9-18(28)30-11-8-10-27(2,26(32)40-30)23(30)19(28)24(31)37-7/h17-23,25H,1,8-15H2,2-7H3/t17-,18?,19-,20-,21+,22-,23-,25+,27-,28+,29+,30-/m0/s1
- InChI Key
- QEXOYMVZQLUEJN-FNLMKGMJSA-N
- Formula
- C30H44O10
- SMILES
-
C=C1CC23CC1(OC1OC(COC)C(OC)C(O
C)C1OC)CCC2C12CCCC(C)(C(=O)O1) C2C3C(=O)OC - Molecular Weight1
- 564.66
- 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° | -563.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1540.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 2.809 | Crippen Calculated Property | |
| McVol | 414.200 | ml/mol | McGowan Calculated Property |
| Pc | 968.07 | kPa | Joback Calculated Property |
| Inp | [3418.00; 3425.00] |
|
|
| Inp | 3418.00 | NIST | |
| Inp | 3420.00 | NIST | |
| Inp | 3425.00 | NIST | |
| Inp | 3425.00 | NIST | |
| Tboil | 1229.80 | K | Joback Calculated Property |
| Tc | 1506.20 | K | Joback Calculated Property |
| Tfus | 906.41 | K | Joback Calculated Property |
| Vc | 1.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1920.97; 2477.54] | J/mol×K | [1229.80; 1506.20] |
|
| Cp,gas | 1920.97 | J/mol×K | 1229.80 | Joback Calculated Property |
| Cp,gas | 1994.22 | J/mol×K | 1275.87 | Joback Calculated Property |
| Cp,gas | 2074.24 | J/mol×K | 1321.93 | Joback Calculated Property |
| Cp,gas | 2161.81 | J/mol×K | 1368.00 | Joback Calculated Property |
| Cp,gas | 2257.70 | J/mol×K | 1414.07 | Joback Calculated Property |
| Cp,gas | 2362.69 | J/mol×K | 1460.14 | Joback Calculated Property |
| Cp,gas | 2477.54 | J/mol×K | 1506.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to GA20-13-O-glucoside, permethyl.
Sources
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