Chemical Properties of Levoglucosenone (CAS 37112-31-5)

InChI

InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2

InChI Key

HITOXZPZGPXYHY-UHFFFAOYSA-N

Formula

C6H6O3

SMILES

O=C1C=CC2COC1O2

Molecular Weight¹

126.11

CAS

37112-31-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_vapH° : Enthalpy of vaporization at standard conditions (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.75; 253.15]	J/mol×K	[479.58; 716.24]
Cp,gas	189.75	J/mol×K	479.58	Joback Calculated Property
Cp,gas	202.19	J/mol×K	519.02	Joback Calculated Property
Cp,gas	213.85	J/mol×K	558.47	Joback Calculated Property
Cp,gas	224.74	J/mol×K	597.91	Joback Calculated Property
Cp,gas	234.91	J/mol×K	637.35	Joback Calculated Property
Cp,gas	244.37	J/mol×K	676.80	Joback Calculated Property
Cp,gas	253.15	J/mol×K	716.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Levoglucosenone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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