Chemical Properties of 2,3-dihydro-3,5-dihydroxy-4H-pyran-4-one

InChI

InChI=1S/C5H6O4/c6-3-1-9-2-4(7)5(3)8/h1,4,6-7H,2H2

InChI Key

QVQTZFXVGAPBRV-UHFFFAOYSA-N

Formula

C5H6O4

SMILES

O=C1C(O)=COCC1O

Molecular Weight¹

130.10

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-446.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-620.06	kJ/mol	Joback Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	70.22	kJ/mol	Joback Calculated Property
log10WS	0.28		Crippen Calculated Property
logPoct/wat	-0.654		Crippen Calculated Property
McVol	85.330	ml/mol	McGowan Calculated Property
Pc	6278.87	kPa	Joback Calculated Property
Inp	[1167.00; 1167.00]
Inp	1167.00		NIST
Inp	1167.00		NIST
Tboil	616.62	K	Joback Calculated Property
Tc	818.23	K	Joback Calculated Property
Tfus	383.20	K	Joback Calculated Property
Vc	0.300	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.64; 261.20]	J/mol×K	[616.62; 818.23]
Cp,gas	219.64	J/mol×K	616.62	Joback Calculated Property
Cp,gas	227.63	J/mol×K	650.22	Joback Calculated Property
Cp,gas	235.21	J/mol×K	683.82	Joback Calculated Property
Cp,gas	242.37	J/mol×K	717.42	Joback Calculated Property
Cp,gas	249.10	J/mol×K	751.03	Joback Calculated Property
Cp,gas	255.38	J/mol×K	784.63	Joback Calculated Property
Cp,gas	261.20	J/mol×K	818.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3-dihydro-3,5-dihydroxy-4H-pyran-4-one.

Sources

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

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