Chemical Properties of 2H-Pyran-2-one, tetrahydro-4-methyl- (CAS 1121-84-2)

InChI

InChI=1S/C6H10O2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3

InChI Key

YHTLGFCVBKENTE-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

CC1CCOC(=O)C1

Molecular Weight¹

114.14

CAS

1121-84-2

Other Names

• Tetrahydro-4-methyl-2H-pyran-2-one

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Ionization energy, 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	[120.77; 318.50]	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			-3.25200e+01
Coefficient B			6.60320e-01
Coefficient C			-3.81800e-04
Coefficient D			7.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.77	J/mol×K	273.00	Calculated Property
Cp,gas	156.51	J/mol×K	353.78	Calculated Property
Cp,gas	188.28	J/mol×K	434.56	Calculated Property
Cp,gas	216.29	J/mol×K	515.33	Calculated Property
Cp,gas	240.79	J/mol×K	596.11	Calculated Property
Cp,gas	262.00	J/mol×K	676.89	Calculated Property
Cp,gas	280.14	J/mol×K	757.67	Calculated Property
Cp,gas	295.45	J/mol×K	838.44	Calculated Property
Cp,gas	308.16	J/mol×K	919.22	Calculated Property
Cp,gas	318.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030369; 0.0003319]	Pa×s	[214.13; 421.87]	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			-1.02925e+01
Coefficient B			9.62650e+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.			214.13
Temperature range, max.			421.87
η	0.0030369	Pa×s	214.13	Calculated Property
η	0.0019609	Pa×s	237.21	Calculated Property
η	0.0013682	Pa×s	260.29	Calculated Property
η	0.0010124	Pa×s	283.38	Calculated Property
η	0.0007838	Pa×s	306.46	Calculated Property
η	0.0006290	Pa×s	329.54	Calculated Property
η	0.0005195	Pa×s	352.62	Calculated Property
η	0.0004393	Pa×s	375.71	Calculated Property
η	0.0003788	Pa×s	398.79	Calculated Property
η	0.0003319	Pa×s	421.87	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-4-methyl-.

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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