- InChI
- InChI=1S/C14H20O10/c1-6(15)21-9-10(22-7(2)16)12(23-8(3)17)14(20-5)24-11(9)13(18)19-4/h9-12,14H,1-5H3/t9-,10-,11-,12+,14+/m1/s1
- InChI Key
- WQZLHCDEZYULJJ-SSKLVLDBSA-N
- Formula
- C14H20O10
- SMILES
-
COC(=O)C1OC(OC)C(OC(C)=O)C(OC(
C)=O)C1OC(C)=O - Molecular Weight1
- 348.30
- CAS
- 34213-34-8
- Other Names
-
- Methyl glucuronide, methyl ester, triacetate
- ω : Acentric Factor.
- 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).
- 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 | 0.7093 | Relay (1.0) Calculated Property | |
| ΔfG° | -1066.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1806.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.674 | Crippen Calculated Property | |
| McVol | 238.760 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 1842.00 | NIST | |
| Tboil | 588.87 | K | Relay (1.0) Calculated Property |
| Tc | 786.94 | K | Relay (1.0) Calculated Property |
| Tfus | 346.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.878 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [783.70; 833.91] | J/mol×K | [875.12; 1086.11] | 
|
| Cp,gas | 783.70 | J/mol×K | 875.12 | Joback Calculated Property |
| Cp,gas | 796.52 | J/mol×K | 910.28 | Joback Calculated Property |
| Cp,gas | 807.65 | J/mol×K | 945.45 | Joback Calculated Property |
| Cp,gas | 817.02 | J/mol×K | 980.61 | Joback Calculated Property |
| Cp,gas | 824.57 | J/mol×K | 1015.78 | Joback Calculated Property |
| Cp,gas | 830.22 | J/mol×K | 1050.94 | Joback Calculated Property |
| Cp,gas | 833.91 | J/mol×K | 1086.11 | Joback Calculated Property |
| η | [0.0001211; 0.0005639] | Pa×s | [575.40; 875.12] |
|
| η | 0.0005639 | Pa×s | 575.40 | Joback Calculated Property |
| η | 0.0003939 | Pa×s | 625.35 | Joback Calculated Property |
| η | 0.0002901 | Pa×s | 675.31 | Joback Calculated Property |
| η | 0.0002229 | Pa×s | 725.26 | Joback Calculated Property |
| η | 0.0001772 | Pa×s | 775.21 | Joback Calculated Property |
| η | 0.0001448 | Pa×s | 825.17 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 875.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl(methyl 2,3,4-tri-O-acetyl-beta-d-glucopyranosid)uronate.
Sources
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