- InChI
- InChI=1S/C13H22O8/c1-7(14)19-12-11(18-5)10(17-4)9(6-16-3)21-13(12)20-8(2)15/h9-13H,6H2,1-5H3/t9?,10-,11?,12?,13+/m1/s1
- InChI Key
- RVVUVVKNALXNRR-XUJBLEAGSA-N
- Formula
- C13H22O8
- SMILES
-
COCC1OC(OC(C)=O)C(OC(C)=O)C(OC
)C1OC - Molecular Weight1
- 306.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -816.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1356.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.78 | kJ/mol | Joback Calculated Property |
| log10WS | -0.29 | Crippen Calculated Property | |
| logPoct/wat | -0.118 | Crippen Calculated Property | |
| McVol | 221.530 | ml/mol | McGowan Calculated Property |
| Pc | 1793.94 | kPa | Joback Calculated Property |
| Inp | [1585.00; 1605.00] |
|
|
| Inp | 1585.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Tboil | 744.50 | K | Joback Calculated Property |
| Tc | 941.85 | K | Joback Calculated Property |
| Tfus | 464.27 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.63; 776.29] | J/mol×K | [744.50; 941.85] |
|
| Cp,gas | 691.63 | J/mol×K | 744.50 | Joback Calculated Property |
| Cp,gas | 708.87 | J/mol×K | 777.39 | Joback Calculated Property |
| Cp,gas | 724.93 | J/mol×K | 810.28 | Joback Calculated Property |
| Cp,gas | 739.76 | J/mol×K | 843.18 | Joback Calculated Property |
| Cp,gas | 753.30 | J/mol×K | 876.07 | Joback Calculated Property |
| Cp,gas | 765.49 | J/mol×K | 908.96 | Joback Calculated Property |
| Cp,gas | 776.29 | J/mol×K | 941.85 | Joback Calculated Property |
| η | [0.0001342; 0.0006779] | Pa×s | [464.27; 744.50] |
|
| η | 0.0006779 | Pa×s | 464.27 | Joback Calculated Property |
| η | 0.0004575 | Pa×s | 510.97 | Joback Calculated Property |
| η | 0.0003297 | Pa×s | 557.68 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 604.38 | Joback Calculated Property |
| η | 0.0001972 | Pa×s | 651.09 | Joback Calculated Property |
| η | 0.0001606 | Pa×s | 697.80 | Joback Calculated Property |
| η | 0.0001342 | Pa×s | 744.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,6-Trimethyl-1,2-diacetylglucoside (A).
Sources
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