Chemical Properties of «beta»-D-Glucopyranose, 1,6-anhydro- (CAS 498-07-7)

InChI

InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2

InChI Key

TWNIBLMWSKIRAT-UHFFFAOYSA-N

Formula

C6H10O5

SMILES

OC1C2COC(O2)C(O)C1O

Molecular Weight¹

162.14

CAS

498-07-7

Other Names

• 1,6-Anhydro-beta-D-glucopyranose
• 1,6-Anhydro-«beta»-D-glucopyranose
• 1,6-Anhydro-«beta»-D-glucopyranose (levoglucosan)
• 1,6-anhydro-.beta.-D-glucopyranose
• 1,6-anhydro-«beta»-D-glucose
• 1,6-dihydro-.beta.-D-glucopyranose
• Anhydro-d-mannosan
• levoglucosan

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-2875.10; -2832.00]	kJ/mol
ΔcH°solid	-2832.00 ± 0.80	kJ/mol	NIST
ΔcH°solid	-2875.10	kJ/mol	NIST
ΔfusH°	2.90	kJ/mol	Experimental and theoretical study of thermodynamic properties of levoglucosan
logPoct/wat	-2.176		Crippen Calculated Property
McVol	103.030	ml/mol	McGowan Calculated Property
Inp	1491.10		NIST
Ttriple	384.90	K	Levoglucosan: A Calorimetric, Thermodynamic, Spectroscopic, and Computational Investigation

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.81; 380.63]	J/mol×K	[675.33; 856.97]
Cp,gas	333.81	J/mol×K	675.33	Joback Calculated Property
Cp,gas	342.83	J/mol×K	705.60	Joback Calculated Property
Cp,gas	351.33	J/mol×K	735.88	Joback Calculated Property
Cp,gas	359.34	J/mol×K	766.15	Joback Calculated Property
Cp,gas	366.88	J/mol×K	796.42	Joback Calculated Property
Cp,gas	373.97	J/mol×K	826.70	Joback Calculated Property
Cp,gas	380.63	J/mol×K	856.97	Joback Calculated Property
η	[0.0000402; 0.0056868]	Pa×s	[409.10; 675.33]
η	0.0056868	Pa×s	409.10	Joback Calculated Property
η	0.0016633	Pa×s	453.47	Joback Calculated Property
η	0.0006057	Pa×s	497.84	Joback Calculated Property
η	0.0002602	Pa×s	542.21	Joback Calculated Property
η	0.0001270	Pa×s	586.59	Joback Calculated Property
η	0.0000686	Pa×s	630.96	Joback Calculated Property
η	0.0000402	Pa×s	675.33	Joback Calculated Property
ΔsubH	[100.30; 125.10]	kJ/mol	[365.00; 395.50]
ΔsubH	125.10 ± 1.00	kJ/mol	365.00	NIST
ΔsubH	100.30 ± 5.90	kJ/mol	395.50	NIST
ΔvapH	92.20	kJ/mol	498.00	NIST

Similar Compounds

Find more compounds similar to «beta»-D-Glucopyranose, 1,6-anhydro-.

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
• Experimental and theoretical study of thermodynamic properties of levoglucosan
• Levoglucosan: A Calorimetric, Thermodynamic, Spectroscopic, and Computational Investigation
• Joback Method
• McGowan Method
• NIST Webbook

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