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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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 standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• 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
ΔfG°	-508.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-815.60	kJ/mol	Joback Calculated Property
ΔfusH°	34.80	kJ/mol	Joback Calculated Property
ΔvapH°	87.25	kJ/mol	Joback Calculated Property
log10WS	0.86		Crippen Calculated Property
logPoct/wat	-2.176		Crippen Calculated Property
McVol	103.030	ml/mol	McGowan Calculated Property
Pc	5695.98	kPa	Joback Calculated Property
Inp	1491.10		NIST
Tboil	675.13	K	Joback Calculated Property
Tc	856.72	K	Joback Calculated Property
Tfus	409.10	K	Joback Calculated Property
Ttriple	384.90	K	Levoglu...
Vc	0.365	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.75; 380.58]	J/mol×K	[675.13; 856.72]
Cp,gas	333.75	J/mol×K	675.13	Joback Calculated Property
Cp,gas	342.77	J/mol×K	705.39	Joback Calculated Property
Cp,gas	351.27	J/mol×K	735.66	Joback Calculated Property
Cp,gas	359.28	J/mol×K	765.92	Joback Calculated Property
Cp,gas	366.82	J/mol×K	796.19	Joback Calculated Property
Cp,gas	373.91	J/mol×K	826.45	Joback Calculated Property
Cp,gas	380.58	J/mol×K	856.72	Joback Calculated Property
η	[0.0000403; 0.0056868]	Pa×s	[409.10; 675.13]
η	0.0056868	Pa×s	409.10	Joback Calculated Property
η	0.0016646	Pa×s	453.44	Joback Calculated Property
η	0.0006065	Pa×s	497.78	Joback Calculated Property
η	0.0002606	Pa×s	542.12	Joback Calculated Property
η	0.0001273	Pa×s	586.45	Joback Calculated Property
η	0.0000687	Pa×s	630.79	Joback Calculated Property
η	0.0000403	Pa×s	675.13	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

• Crippen Method
• Crippen Method
• Levoglucosan: A Calorimetric, Thermodynamic, Spectroscopic, and Computational Investigation
• Joback Method
• McGowan Method
• NIST Webbook

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