- InChI
- InChI=1S/C11H20O6/c1-7(12)17-11-9(5-13-2)16-6-8(14-3)10(11)15-4/h8-11H,5-6H2,1-4H3/t8-,9+,10-,11-/m0/s1
- InChI Key
- BPVFAUHKDUHQHN-VLEAKVRGSA-N
- Formula
- C11H20O6
- SMILES
- COCC1OCC(OC)C(OC)C1OC(C)=O
- Molecular Weight1
- 248.27
- CAS
- 102850-64-6
- Other Names
-
- D-Galactitol, 1,5-anhydro-2,3,6-tri-O-methyl-, acetate
- 4-O-Acetyl-1,5-anhydro-2,3,6-tri-O-methyl-D-galactitol
- 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° | -591.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1050.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Joback Calculated Property |
| log10WS | 0.02 | Crippen Calculated Property | |
| logPoct/wat | -0.007 | Crippen Calculated Property | |
| McVol | 185.910 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Inp | [1497.68; 1497.68] |
|
|
| Inp | 1497.68 | NIST | |
| Inp | 1497.68 | NIST | |
| Tboil | 627.12 | K | Joback Calculated Property |
| Tc | 822.64 | K | Joback Calculated Property |
| Tfus | 373.81 | K | Joback Calculated Property |
| Vc | 0.680 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.85; 620.52] | J/mol×K | [627.12; 822.64] |
|
| Cp,gas | 525.85 | J/mol×K | 627.12 | Joback Calculated Property |
| Cp,gas | 543.85 | J/mol×K | 659.71 | Joback Calculated Property |
| Cp,gas | 561.01 | J/mol×K | 692.29 | Joback Calculated Property |
| Cp,gas | 577.30 | J/mol×K | 724.88 | Joback Calculated Property |
| Cp,gas | 592.68 | J/mol×K | 757.46 | Joback Calculated Property |
| Cp,gas | 607.10 | J/mol×K | 790.05 | Joback Calculated Property |
| Cp,gas | 620.52 | J/mol×K | 822.64 | Joback Calculated Property |
| η | [0.0001648; 0.0010224] | Pa×s | [373.81; 627.12] |
|
| η | 0.0010224 | Pa×s | 373.81 | Joback Calculated Property |
| η | 0.0006464 | Pa×s | 416.03 | Joback Calculated Property |
| η | 0.0004447 | Pa×s | 458.25 | Joback Calculated Property |
| η | 0.0003259 | Pa×s | 500.47 | Joback Calculated Property |
| η | 0.0002506 | Pa×s | 542.68 | Joback Calculated Property |
| η | 0.0002002 | Pa×s | 584.90 | Joback Calculated Property |
| η | 0.0001648 | Pa×s | 627.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Anhydro-4-O-acetyl-2,3,6-tri-O-methyl-D-galactitol.
Sources
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