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

Sorbitol, 3,6-dimethyl, acetylated

InChI
InChI=1S/C16H26O10/c1-9(17)23-8-14(25-11(3)19)15(22-6)16(26-12(4)20)13(7-21-5)24-10(2)18/h13-16H,7-8H2,1-6H3/t13-,14+,15+,16+/m0/s1
InChI Key
BWFYMIDEWZXNAH-UGUYLWEFSA-N
Formula
C16H26O10
SMILES
COC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC)[C@@H](COC(C)=O)OC(C)=O
Molecular Weight1
378.37
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Physical Properties

Property Value Unit Source
ΔfusH° 42.96 kJ/mol Joback Calculated Property
log10WS -0.58 Relay (1.0) Calculated Property
logPoct/wat 0.006 Crippen Calculated Property
McVol 277.800 ml/mol McGowan Calculated Property
Pc 1335.88 kPa Joback Calculated Property
Inp [2128.00; 2134.00]   Show Hide
Inp 2134.00 NIST
Inp 2134.00 NIST
Inp 2128.00 NIST
Tboil 621.40 K Relay (1.0) Calculated Property
Tc 783.62 K Relay (1.0) Calculated Property
Tfus 316.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [439.80; 916.37] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.34252e+02
Coefficient B1.20192e+00
Coefficient C-2.59000e-04
Coefficient D-1.60800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 439.80 J/mol×K 273.00 Calculated Property
Cp,gas 519.93 J/mol×K 353.78 Calculated Property
Cp,gas 594.45 J/mol×K 434.56 Calculated Property
Cp,gas 662.85 J/mol×K 515.33 Calculated Property
Cp,gas 724.63 J/mol×K 596.11 Calculated Property
Cp,gas 779.28 J/mol×K 676.89 Calculated Property
Cp,gas 826.29 J/mol×K 757.67 Calculated Property
Cp,gas 865.14 J/mol×K 838.44 Calculated Property
Cp,gas 895.34 J/mol×K 919.22 Calculated Property
Cp,gas 916.37 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0009411; 0.0000233] Pa×s [423.86; 725.45] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.58661e+01
Coefficient B3.77134e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.423.86
Temperature range, max.725.45
η 0.0009411 Pa×s 423.86 Calculated Property
η 0.0004903 Pa×s 457.37 Calculated Property
η 0.0002793 Pa×s 490.88 Calculated Property
η 0.0001709 Pa×s 524.39 Calculated Property
η 0.0001110 Pa×s 557.90 Calculated Property
η 0.0000757 Pa×s 591.41 Calculated Property
η 0.0000537 Pa×s 624.92 Calculated Property
η 0.0000395 Pa×s 658.43 Calculated Property
η 0.0000300 Pa×s 691.94 Calculated Property
η 0.0000233 Pa×s 725.45 Calculated Property

Similar Compounds

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

Find more compounds similar to Sorbitol, 3,6-dimethyl, acetylated.

Sources

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