Chemical Properties of 1,5-Anhydro-2-O-acetyl-3,4,6-tri-O-methyl-d-mannitol (CAS 93635-82-6)

1,5-Anhydro-2-O-acetyl-3,4,6-tri-O-methyl-d-mannitol

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InChI
InChI=1S/C11H20O6/c1-7(12)17-9-6-16-8(5-13-2)10(14-3)11(9)15-4/h8-11H,5-6H2,1-4H3/t8-,9-,10-,11+/m1/s1
InChI Key
GIVHIFDRSITQPC-DBIOUOCHSA-N
Formula
C11H20O6
SMILES
COCC1OCC(OC(C)=O)C(OC)C1OC
Molecular Weight1
248.27
CAS
93635-82-6
Other Names
  • 2-O-acetyl-1,5-Anhydro-3,4,6-tri-O-methyl-D-mannitol
Sources

Physical Properties

Property Value Unit Source
Δf -591.98 kJ/mol Joback Calculated Property
Δfgas -1050.53 kJ/mol Joback Calculated Property
Δfus 33.62 kJ/mol Joback Calculated Property
Δvap 60.48 kJ/mol Joback Calculated Property
logPoct/wat -0.01 Crippen Calculated Property
Pc 2100.34 kPa Joback Calculated Property
Tboil 627.12 K Joback Calculated Property
Tc 822.64 K Joback Calculated Property
Tfus 373.81 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 525.85 J/mol×K 627.12 Joback Calculated Property
η 0.00 Pa×s 627.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 4
-O- (ring) 1
-CH3 4
-CH2- 1
>C=O (nonring) 1
>CH- (ring) 4
-CH2- (ring) 1

Similar Compounds

1,5-Anhydro-2-O-acetyl-3,4,6-tri-O-methyl-D-glucitol. 1,5-Anhydro-2-O-acetyl-3,4,6-tri-O-methyl-D-galactitol. 1,5-Anhydro-2,6-di-O-acetyl-3,4-di-O-methyl-D-glucitol. 2,6-Di-O-acetyl-1,5-Anhydro-3,4-di-O-methyl-D-mannitol. 2,6-Di-O-Acetyl-1,5-Anhydro-3,4-di-O-methyl-D-galactitol. 2,4-Di-O-acetyl-1,5-anhydro-3,6-di-O-methyl-D-glucitol. 1,5-Anhydro-4,6-di-O-acetyl-2,3-di-O-methyl-D-glucitol. 3,6-Di-O-acetyl-1,5-anhydro-2,4-di-O-methyl-D-mannitol. 3,6-Di-O-Acetyl-1,5-Anhydro-2,4-di-O-methyl-D-galactitol. 4,6-Di-O-Acetyl-1,5-Anhydro-2,3-di-O-methyl-D-galactitol. 2,4,6-Tri-O-acetyl-1,5-anhydro-3-O-methyl-D-glucitol. 1,5-Anhydro-3,6-di-O-acetyl-2,4-di-O-methyl-D-glucitol. 2,4-Di-O-Acetyl-1,5-Anhydro-3,6-di-O-methyl-D-galactitol. 2,4,6-Tri-O-Acetyl-1,5-Anhydro-3-O-methyl-D-galactitol. 4,6-Di-O-acetyl-1,5-anhydro-2,3-di-O-methyl-D-mannitol.

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