Chemical Properties of Glucose, 3,6-dimethyl, acetylated

Glucose, 3,6-dimethyl, acetylated

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InChI
InChI=1S/C14H22O9/c1-7(15)20-11-10(6-18-4)23-14(22-9(3)17)13(12(11)19-5)21-8(2)16/h10-14H,6H2,1-5H3/t10-,11-,12+,13-,14-/m0/s1
InChI Key
PNSFLAQAJMVJKY-HPCHECBXSA-N
Formula
C14H22O9
SMILES
COCC1OC(OC(C)=O)C(OC(C)=O)C(OC)C1OC(C)=O
Molecular Weight1
334.32
Sources

Physical Properties

Property Value Unit Source
Δf -937.27 kJ/mol Joback Calculated Property
Δfgas -1490.17 kJ/mol Joback Calculated Property
Δfus 46.85 kJ/mol Joback Calculated Property
Δvap 82.75 kJ/mol Joback Calculated Property
logPoct/wat -0.20 Crippen Calculated Property
Pc 1744.82 kPa Joback Calculated Property
Tboil 821.25 K Joback Calculated Property
Tc 1024.83 K Joback Calculated Property
Tfus 525.47 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 768.99 J/mol×K 821.25 Joback Calculated Property
η 0.00 Pa×s 821.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 5
-O- (ring) 1
-CH3 5
-CH2- 1
>C=O (nonring) 3
>CH- (ring) 5

Similar Compounds

3-Methyl-1,2,4,6-tetraacetylglucoside (B). Glucose, 3-methyl, acetylated. 4,6-Dimethyl-1,2,3-triacetylglucoside (A). Glucose, 3-ethyl, acetylated. Glucose, 6-ethyl, acetylated. «beta»-D-Glucopyranose pentaacetate. 4-Methyl-1,2,3,6-tetraacetylglucoside (A). 4-Methyl-1,2,3,6-tetraacetylglucoside (B). «alpha»-D-Glucopyranose, pentaacetate. 4,6-Dimethyl-1,2,3-triacetylglucoside (B). Glucose, 6-methyl, acetylated. Galactose, alpha,d-,pentaacetate. Glucose, 3,6-diethyl, acetylated. Glucose, 2,3-dimethyl, acetylated. 3,4-Dimethyl-1,2,6-triacetylglucoside.

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