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

InChI

InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1-2H,3-4H2

InChI Key

VREFDQNWPNDZEX-UHFFFAOYSA-N

Formula

C5H6O2

SMILES

O=C1CC=CCO1

Molecular Weight¹

98.10

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.26	kJ/mol	Joback Calculated Property
ΔvapH°	51.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
logPoct/wat	0.489		Crippen Calculated Property
McVol	73.590	ml/mol	McGowan Calculated Property
Inp	[883.00; 883.00]
Inp	883.00		NIST
Inp	883.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[90.81; 228.95]	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			-2.97700e+01
Coefficient B			5.35800e-01
Coefficient C			-3.70080e-04
Coefficient D			9.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	90.81	J/mol×K	273.00	Calculated Property
Cp,gas	117.58	J/mol×K	353.78	Calculated Property
Cp,gas	140.81	J/mol×K	434.56	Calculated Property
Cp,gas	160.79	J/mol×K	515.33	Calculated Property
Cp,gas	177.82	J/mol×K	596.11	Calculated Property
Cp,gas	192.19	J/mol×K	676.89	Calculated Property
Cp,gas	204.19	J/mol×K	757.67	Calculated Property
Cp,gas	214.12	J/mol×K	838.44	Calculated Property
Cp,gas	222.28	J/mol×K	919.22	Calculated Property
Cp,gas	228.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034381; 0.0003028]	Pa×s	[207.86; 411.51]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.05820e+01
Coefficient B			1.02042e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			207.86
Temperature range, max.			411.51
η	0.0034381	Pa×s	207.86	Calculated Property
η	0.0021233	Pa×s	230.49	Calculated Property
η	0.0014293	Pa×s	253.12	Calculated Property
η	0.0010267	Pa×s	275.74	Calculated Property
η	0.0007755	Pa×s	298.37	Calculated Property
η	0.0006093	Pa×s	321.00	Calculated Property
η	0.0004943	Pa×s	343.63	Calculated Property
η	0.0004114	Pa×s	366.26	Calculated Property
η	0.0003498	Pa×s	388.89	Calculated Property
η	0.0003028	Pa×s	411.51	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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