Chemical Properties of 2H-Pyran-3(4H)-one, dihydro- (CAS 23462-75-1)

InChI

InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-4H2

InChI Key

URUUZIAJVSGYRC-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

O=C1CCCOC1

Molecular Weight¹

100.12

CAS

23462-75-1

Other Names

• Dihydro-2H-pyran-3(4H)-one
• Tetrahydropyran-3-one
• 3-Tetrahydropyranone

• 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_p : 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	0.3516		Relay (1.0) Calculated Property
ΔfG°	-185.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-308.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.96	kJ/mol	Joback Calculated Property
ΔvapH°	46.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	0.81		Relay (1.0) Calculated Property
logPoct/wat	0.366		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Pc	4862.97	kPa	Joback Calculated Property
Ip	[1439.00; 1439.00]
Ip	1439.00		NIST
Ip	1439.00		NIST
Tboil	435.51	K	Relay (1.0) Calculated Property
Tc	673.59	K	Relay (1.0) Calculated Property
Tfus	280.22	K	Relay (1.0) Calculated Property
Vc	0.268	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[94.90; 274.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.94500e+01
Coefficient B			4.56100e-01
Coefficient C			-1.26700e-04
Coefficient D			-3.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	94.90	J/mol×K	273.00	Calculated Property
Cp,gas	124.47	J/mol×K	353.78	Calculated Property
Cp,gas	151.90	J/mol×K	434.56	Calculated Property
Cp,gas	177.07	J/mol×K	515.33	Calculated Property
Cp,gas	199.87	J/mol×K	596.11	Calculated Property
Cp,gas	220.19	J/mol×K	676.89	Calculated Property
Cp,gas	237.90	J/mol×K	757.67	Calculated Property
Cp,gas	252.91	J/mol×K	838.44	Calculated Property
Cp,gas	265.10	J/mol×K	919.22	Calculated Property
Cp,gas	274.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-3(4H)-one, dihydro-.

Sources

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

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