- InChI
- InChI=1S/C13H20O8/c1-7(14)18-6-11-13(21-9(3)16)12(20-8(2)15)10(17-4)5-19-11/h10-13H,5-6H2,1-4H3
- InChI Key
- KZBIRXRQOAVDNM-UHFFFAOYSA-N
- Formula
- C13H20O8
- SMILES
-
COC1COC(COC(C)=O)C(OC(C)=O)C1O
C(C)=O - Molecular Weight1
- 304.29
- 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° | -832.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1316.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.42 | kJ/mol | Joback Calculated Property |
| log10WS | -0.37 | Crippen Calculated Property | |
| logPoct/wat | -0.173 | Crippen Calculated Property | |
| McVol | 217.230 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | [1789.05; 1789.05] |
|
|
| Inp | 1789.05 | NIST | |
| Inp | 1789.05 | NIST | |
| Tboil | 780.62 | K | Joback Calculated Property |
| Tc | 985.59 | K | Joback Calculated Property |
| Tfus | 496.21 | K | Joback Calculated Property |
| Vc | 0.804 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.74; 752.43] | J/mol×K | [780.62; 985.59] |
|
| Cp,gas | 679.74 | J/mol×K | 780.62 | Joback Calculated Property |
| Cp,gas | 695.16 | J/mol×K | 814.78 | Joback Calculated Property |
| Cp,gas | 709.31 | J/mol×K | 848.94 | Joback Calculated Property |
| Cp,gas | 722.16 | J/mol×K | 883.11 | Joback Calculated Property |
| Cp,gas | 733.66 | J/mol×K | 917.27 | Joback Calculated Property |
| Cp,gas | 743.76 | J/mol×K | 951.43 | Joback Calculated Property |
| Cp,gas | 752.43 | J/mol×K | 985.59 | Joback Calculated Property |
| η | [0.0001413; 0.0008049] | Pa×s | [496.21; 780.62] |
|
| η | 0.0008049 | Pa×s | 496.21 | Joback Calculated Property |
| η | 0.0005308 | Pa×s | 543.61 | Joback Calculated Property |
| η | 0.0003742 | Pa×s | 591.01 | Joback Calculated Property |
| η | 0.0002778 | Pa×s | 638.41 | Joback Calculated Property |
| η | 0.0002150 | Pa×s | 685.82 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 733.22 | Joback Calculated Property |
| η | 0.0001413 | Pa×s | 780.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,6-Tri-O-acetyl-1,5-anhydro-2-O-methyl-D-glucitol.
Sources
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