Chemical Properties of 2,3-Dihydro-5-hydroxy-6-methyl-4H-pyran-4-one

InChI

InChI=1S/C6H8O3/c1-4-6(8)5(7)2-3-9-4/h8H,2-3H2,1H3

InChI Key

YTKBKDDTNVNZLX-UHFFFAOYSA-N

Formula

C6H8O3

SMILES

CC1=C(O)C(=O)CCO1

Molecular Weight¹

128.13

• 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°	-303.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-479.60	kJ/mol	Joback Calculated Property
ΔfusH°	14.08	kJ/mol	Joback Calculated Property
ΔvapH°	56.74	kJ/mol	Joback Calculated Property
log10WS	-0.76		Crippen Calculated Property
logPoct/wat	0.765		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Pc	4876.56	kPa	Joback Calculated Property
Inp	[1103.00; 1103.00]
Inp	1103.00		NIST
Inp	1103.00		NIST
Tboil	556.97	K	Joback Calculated Property
Tc	771.16	K	Joback Calculated Property
Tfus	350.41	K	Joback Calculated Property
Vc	0.339	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.38; 271.82]	J/mol×K	[556.97; 771.16]
Cp,gas	219.38	J/mol×K	556.97	Joback Calculated Property
Cp,gas	229.26	J/mol×K	592.67	Joback Calculated Property
Cp,gas	238.71	J/mol×K	628.37	Joback Calculated Property
Cp,gas	247.70	J/mol×K	664.06	Joback Calculated Property
Cp,gas	256.23	J/mol×K	699.76	Joback Calculated Property
Cp,gas	264.27	J/mol×K	735.46	Joback Calculated Property
Cp,gas	271.82	J/mol×K	771.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dihydro-5-hydroxy-6-methyl-4H-pyran-4-one.

Sources

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

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