Chemical Properties of 4H-Pyran-4-one, 2,3-dihydro-3-hydroxy-6-formyl

InChI

InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1-2,6,9H,3H2

InChI Key

MOGMYZWZFVCQNF-UHFFFAOYSA-N

Formula

C6H6O4

SMILES

O=CC1=CC(=O)C(O)CO1

Molecular Weight¹

142.11

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5774		Relay (1.0) Calculated Property
ΔfG°	-400.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-524.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.83	kJ/mol	Joback Calculated Property
ΔvapH°	81.03	kJ/mol	Relay (1.0) Calculated Property
IE	10.04	eV	Relay (1.0) Calculated Property
log10WS	-0.02		Relay (1.0) Calculated Property
logPoct/wat	-0.971		Crippen Calculated Property
McVol	95.120	ml/mol	McGowan Calculated Property
Pc	5281.57	kPa	Joback Calculated Property
Inp	[1165.00; 1165.00]
Inp	1165.00		NIST
Inp	1165.00		NIST
Tboil	515.03	K	Relay (1.0) Calculated Property
Tc	807.65	K	Relay (1.0) Calculated Property
Tfus	358.50	K	Relay (1.0) Calculated Property
Vc	0.345	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.86; 282.95]	J/mol×K	[595.98; 811.86]
Cp,gas	234.86	J/mol×K	595.98	Joback Calculated Property
Cp,gas	244.18	J/mol×K	631.96	Joback Calculated Property
Cp,gas	253.01	J/mol×K	667.94	Joback Calculated Property
Cp,gas	261.31	J/mol×K	703.92	Joback Calculated Property
Cp,gas	269.08	J/mol×K	739.90	Joback Calculated Property
Cp,gas	276.30	J/mol×K	775.88	Joback Calculated Property
Cp,gas	282.95	J/mol×K	811.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4H-Pyran-4-one, 2,3-dihydro-3-hydroxy-6-formyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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