Chemical Properties of 1,4:3,6-Dianhydro-«alpha»-d-glucopyranose

InChI

InChI=1S/C6H8O4/c7-3-5-4-2(1-8-5)9-6(3)10-4/h2-7H,1H2/t2-,3-,4-,5-,6+/m0/s1

InChI Key

XOTJGHCMZOLIPX-GKFJPSPNSA-N

Formula

C6H8O4

SMILES

OC1C2OC3COC1C3O2

Molecular Weight¹

144.13

Other Names

• 1.4:3,6-Dianhydro-A-D-glucopyranose

• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.87	kJ/mol	Joback Calculated Property
logPoct/wat	-1.130		Crippen Calculated Property
McVol	86.300	ml/mol	McGowan Calculated Property
I	[2394.00; 2394.00]
I	2394.00		NIST
I	2394.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[131.55; 358.64]	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			-8.41600e+01
Coefficient B			9.98500e-01
Coefficient C			-8.41100e-04
Coefficient D			2.85400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.55	J/mol×K	273.00	Calculated Property
Cp,gas	176.45	J/mol×K	353.78	Calculated Property
Cp,gas	214.33	J/mol×K	434.56	Calculated Property
Cp,gas	246.09	J/mol×K	515.33	Calculated Property
Cp,gas	272.63	J/mol×K	596.11	Calculated Property
Cp,gas	294.85	J/mol×K	676.89	Calculated Property
Cp,gas	313.66	J/mol×K	757.67	Calculated Property
Cp,gas	329.96	J/mol×K	838.44	Calculated Property
Cp,gas	344.65	J/mol×K	919.22	Calculated Property
Cp,gas	358.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061025; 0.0019321]	Pa×s	[343.25; 504.96]	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			-8.69031e+00
Coefficient B			1.23270e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			343.25
Temperature range, max.			504.96
η	0.0061025	Pa×s	343.25	Calculated Property
η	0.0051042	Pa×s	361.22	Calculated Property
η	0.0043421	Pa×s	379.19	Calculated Property
η	0.0037482	Pa×s	397.15	Calculated Property
η	0.0032770	Pa×s	415.12	Calculated Property
η	0.0028972	Pa×s	433.09	Calculated Property
η	0.0025866	Pa×s	451.06	Calculated Property
η	0.0023295	Pa×s	469.03	Calculated Property
η	0.0021142	Pa×s	486.99	Calculated Property
η	0.0019321	Pa×s	504.96	Calculated Property

Similar Compounds

Find more compounds similar to 1,4:3,6-Dianhydro-«alpha»-d-glucopyranose.

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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