Chemical Properties of 2,3-Dimethyl-1,4,6-triacetylglucoside (A)

InChI

InChI=1S/C14H22O9/c1-7(15)20-6-10-11(21-8(2)16)12(18-4)13(19-5)14(23-10)22-9(3)17/h10-14H,6H2,1-5H3/t10?,11-,12?,13?,14+/m0/s1

InChI Key

IFFLEPBFBCLKRG-ARDLJMPDSA-N

Formula

C14H22O9

SMILES

COC1C(OC(C)=O)OC(COC(C)=O)C(OC(C)=O)C1OC

Molecular Weight¹

334.32

• 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

Property	Value	Unit	Source
ΔfusH°	51.60	kJ/mol	Joback Calculated Property
logPoct/wat	-0.201		Crippen Calculated Property
McVol	237.190	ml/mol	McGowan Calculated Property
Inp	[1700.00; 1704.00]
Inp	1704.00		NIST
Inp	1704.00		NIST
Inp	1700.00		NIST
Inp	1702.00		NIST
Inp	1700.00		NIST
Tfus	325.98	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.60; 834.16]	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			9.28610e+01
Coefficient B			1.05620e+00
Coefficient C			-7.75000e-05
Coefficient D			-2.37400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.60	J/mol×K	273.00	Calculated Property
Cp,gas	446.31	J/mol×K	353.78	Calculated Property
Cp,gas	517.72	J/mol×K	434.56	Calculated Property
Cp,gas	584.08	J/mol×K	515.33	Calculated Property
Cp,gas	644.65	J/mol×K	596.11	Calculated Property
Cp,gas	698.66	J/mol×K	676.89	Calculated Property
Cp,gas	745.36	J/mol×K	757.67	Calculated Property
Cp,gas	784.02	J/mol×K	838.44	Calculated Property
Cp,gas	813.87	J/mol×K	919.22	Calculated Property
Cp,gas	834.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008748; 0.0001245]	Pa×s	[435.98; 674.75]	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			-1.25519e+01
Coefficient B			2.40240e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			435.98
Temperature range, max.			674.75
η	0.0008748	Pa×s	435.98	Calculated Property
η	0.0006377	Pa×s	462.51	Calculated Property
η	0.0004811	Pa×s	489.04	Calculated Property
η	0.0003736	Pa×s	515.57	Calculated Property
η	0.0002975	Pa×s	542.10	Calculated Property
η	0.0002419	Pa×s	568.63	Calculated Property
η	0.0002004	Pa×s	595.16	Calculated Property
η	0.0001687	Pa×s	621.69	Calculated Property
η	0.0001440	Pa×s	648.22	Calculated Property
η	0.0001245	Pa×s	674.75	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dimethyl-1,4,6-triacetylglucoside (A).

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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