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

InChI

InChI=1S/C16H26O9/c1-6-20-8-12-13(22-9(3)17)14(21-7-2)15(23-10(4)18)16(25-12)24-11(5)19/h12-16H,6-8H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1

InChI Key

CEHRPKUHMLBXOI-QMHWVQJVSA-N

Formula

C16H26O9

SMILES

CCOC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OCC)[C@@H]1OC(C)=O

Molecular Weight¹

362.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[413.02; 937.34]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.10430e+01
Coefficient B			1.24620e+00
Coefficient C			-1.86300e-04
Coefficient D			-2.13600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	413.02	J/mol×K	273.00	Calculated Property
Cp,gas	499.15	J/mol×K	353.78	Calculated Property
Cp,gas	579.88	J/mol×K	434.56	Calculated Property
Cp,gas	654.54	J/mol×K	515.33	Calculated Property
Cp,gas	722.47	J/mol×K	596.11	Calculated Property
Cp,gas	782.98	J/mol×K	676.89	Calculated Property
Cp,gas	835.40	J/mol×K	757.67	Calculated Property
Cp,gas	879.05	J/mol×K	838.44	Calculated Property
Cp,gas	913.25	J/mol×K	919.22	Calculated Property
Cp,gas	937.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007324; 0.0001008]	Pa×s	[458.52; 706.57]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.28693e+01
Coefficient B			2.59072e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			458.52
Temperature range, max.			706.57
η	0.0007324	Pa×s	458.52	Calculated Property
η	0.0005317	Pa×s	486.08	Calculated Property
η	0.0003994	Pa×s	513.64	Calculated Property
η	0.0003089	Pa×s	541.20	Calculated Property
η	0.0002450	Pa×s	568.76	Calculated Property
η	0.0001985	Pa×s	596.32	Calculated Property
η	0.0001638	Pa×s	623.89	Calculated Property
η	0.0001374	Pa×s	651.45	Calculated Property
η	0.0001169	Pa×s	679.01	Calculated Property
η	0.0001008	Pa×s	706.57	Calculated Property

Similar Compounds

Find more compounds similar to Glucose, 3,6-diethyl, acetylated.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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