Chemical Properties of 6-methyl-5,6-dihydropyran-2-one

InChI

InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3

InChI Key

DYNKRGCMLGUEMN-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

CC1CC=CC(=O)O1

Molecular Weight¹

112.13

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.92	kJ/mol	Joback Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
logPoct/wat	0.878		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
I	[1586.00; 1586.00]
I	1586.00		NIST
I	1586.00		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, Enthalpy of vaporization 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	[114.29; 287.20]	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			-2.47400e+01
Coefficient B			6.04320e-01
Coefficient C			-3.69080e-04
Coefficient D			7.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	114.29	J/mol×K	273.00	Calculated Property
Cp,gas	146.26	J/mol×K	353.78	Calculated Property
Cp,gas	174.47	J/mol×K	434.56	Calculated Property
Cp,gas	199.17	J/mol×K	515.33	Calculated Property
Cp,gas	220.60	J/mol×K	596.11	Calculated Property
Cp,gas	239.00	J/mol×K	676.89	Calculated Property
Cp,gas	254.62	J/mol×K	757.67	Calculated Property
Cp,gas	267.70	J/mol×K	838.44	Calculated Property
Cp,gas	278.48	J/mol×K	919.22	Calculated Property
Cp,gas	287.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022785; 0.0003135]	Pa×s	[214.89; 422.72]	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			-1.01184e+01
Coefficient B			8.66890e+02
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.			214.89
Temperature range, max.			422.72
η	0.0022785	Pa×s	214.89	Calculated Property
η	0.0015404	Pa×s	237.98	Calculated Property
η	0.0011161	Pa×s	261.07	Calculated Property
η	0.0008522	Pa×s	284.17	Calculated Property
η	0.0006776	Pa×s	307.26	Calculated Property
η	0.0005563	Pa×s	330.35	Calculated Property
η	0.0004687	Pa×s	353.44	Calculated Property
η	0.0004032	Pa×s	376.53	Calculated Property
η	0.0003530	Pa×s	399.62	Calculated Property
η	0.0003135	Pa×s	422.72	Calculated Property

Similar Compounds

Find more compounds similar to 6-methyl-5,6-dihydropyran-2-one.

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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