Chemical Properties of 2,3,6-Trimethyl-1,4-diacetylglucoside (B)

2,3,6-Trimethyl-1,4-diacetylglucoside (B)

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InChI
InChI=1S/C13H22O8/c1-7(14)19-10-9(6-16-3)21-13(20-8(2)15)12(18-5)11(10)17-4/h9-13H,6H2,1-5H3/t9?,10-,11?,12?,13-/m0/s1
InChI Key
HXLRYGRACUTNDH-AUURQCFLSA-N
Formula
C13H22O8
SMILES
COCC1OC(OC(C)=O)C(OC)C(OC)C1OC(C)=O
Molecular Weight1
306.31
Sources

Physical Properties

Property Value Unit Source
Δf -816.77 kJ/mol Joback Calculated Property
Δfgas -1356.95 kJ/mol Joback Calculated Property
Δfus 42.66 kJ/mol Joback Calculated Property
Δvap 73.78 kJ/mol Joback Calculated Property
logPoct/wat -0.117 Crippen Calculated Property
Pc 1793.94 kPa Joback Calculated Property
Tboil 744.50 K Joback Calculated Property
Tc 941.85 K Joback Calculated Property
Tfus 464.27 K Joback Calculated Property
Vc 0.816 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 691.63 J/mol×K 744.5 Joback Calculated Property
η 0.0001341 Pa×s 744.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 5
-O- (ring) 1
-CH3 5
-CH2- 1
>C=O (nonring) 2
>CH- (ring) 5

Similar Compounds

Glucose, 2,3,6-trimethyl, acetylated. 2,3-Dimethyl-1,4,6-triacetylglucoside (A). Glucose, 2,3-dimethyl, acetylated. Glucose, 2,3-diethyl, acetylated. 2,4-Dimethyl-1,3,6-triacetylglucoside (A). Glucose, 2,3,6-triethyl, acetylated. 2,4-Dimethyl-1,3,6-triacetylglucoside (B). 2,4,6-Trimethyl-1,3-diacetylglucoside (B). Glucose, 2,6-diethyl, acetylated. Glucose, 2,6-dimethyl, acetylated. 2,6-Dimethyl-1,3,4-triacetylglycoside (B). Glucose, 3-methyl, acetylated. 2-Methyl-1,3,4,6-tetraacetylglucoside (A). Glucose, 2-ethyl, acetylated. 3-Methyl-1,2,4,6-tetraacetylglucoside (B).

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