Chemical Properties of «alpha»-D-Cellobiose octaacetate (CAS 5346-90-7)

«alpha»-D-Cellobiose octaacetate

InChI
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m0/s1
InChI Key
WOTQVEKSRLZRSX-GCUFADGCSA-N
Formula
C28H38O19
SMILES
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Molecular Weight1
678.59
CAS
5346-90-7
Other Names
  • D-Cellobiose octaacetate
  • «alpha»-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-«beta»-D-glucopyranosyl)-, tetraacetate
  • Cellobiose, octaacetate, «alpha»-
  • Cellobiose, octaacetate, «alpha»-D-
  • Octaacetyl-«alpha»-cellobiose
  • Cellobiose, octaacetate alpha, d-
  • alpha-D-Cellobiose octaacetate
  • Cellobiose octaacetate
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Physical Properties

Property Value Unit Source
ΔfusH° 112.61 kJ/mol Joback Calculated Property
logPoct/wat -0.831 Crippen Calculated Property
McVol 460.790 ml/mol McGowan Calculated Property
Tfus 379.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [662.81; 1472.21] J/mol×K [1384.06; 1792.46] Show Hide
Cp,gas 1472.21 J/mol×K 1384.06 Joback Calculated Property
Cp,gas 1389.11 J/mol×K 1452.13 Joback Calculated Property
Cp,gas 1286.33 J/mol×K 1520.19 Joback Calculated Property
Cp,gas 1163.09 J/mol×K 1588.26 Joback Calculated Property
Cp,gas 1018.61 J/mol×K 1656.32 Joback Calculated Property
Cp,gas 852.11 J/mol×K 1724.39 Joback Calculated Property
Cp,gas 662.81 J/mol×K 1792.46 Joback Calculated Property
η [0.0000028; 0.0000368] Pa×s [800.17; 1384.06] Show Hide
η 0.0000368 Pa×s 800.17 Joback Calculated Property
η 0.0000189 Pa×s 897.49 Joback Calculated Property
η 0.0000111 Pa×s 994.80 Joback Calculated Property
η 0.0000072 Pa×s 1092.12 Joback Calculated Property
η 0.0000050 Pa×s 1189.43 Joback Calculated Property
η 0.0000036 Pa×s 1286.74 Joback Calculated Property
η 0.0000028 Pa×s 1384.06 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to «alpha»-D-Cellobiose octaacetate.

Sources

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