Chemical Properties of Tetrahydro-5,6-dimethyl-2H-pyran-2-one

InChI

InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3

InChI Key

HAXARIVGMMVELD-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

CC1CCC(=O)OC1C

Molecular Weight¹

128.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-449.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.36	kJ/mol	Joback Calculated Property
ΔvapH°	57.10	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.348		Crippen Calculated Property
McVol	106.070	ml/mol	McGowan Calculated Property
I	[1855.00; 1855.00]
I	1855.00		NIST
I	1855.00		NIST
Tboil	505.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[144.25; 376.75]	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			-2.74900e+01
Coefficient B			7.28840e-01
Coefficient C			-3.80800e-04
Coefficient D			5.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.25	J/mol×K	273.00	Calculated Property
Cp,gas	185.19	J/mol×K	353.78	Calculated Property
Cp,gas	221.93	J/mol×K	434.56	Calculated Property
Cp,gas	254.67	J/mol×K	515.33	Calculated Property
Cp,gas	283.57	J/mol×K	596.11	Calculated Property
Cp,gas	308.81	J/mol×K	676.89	Calculated Property
Cp,gas	330.57	J/mol×K	757.67	Calculated Property
Cp,gas	349.03	J/mol×K	838.44	Calculated Property
Cp,gas	364.36	J/mol×K	919.22	Calculated Property
Cp,gas	376.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020537; 0.0003429]	Pa×s	[221.16; 433.04]	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			-9.84663e+00
Coefficient B			8.09120e+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.			221.16
Temperature range, max.			433.04
η	0.0020537	Pa×s	221.16	Calculated Property
η	0.0014444	Pa×s	244.70	Calculated Property
η	0.0010806	Pa×s	268.24	Calculated Property
η	0.0008471	Pa×s	291.79	Calculated Property
η	0.0006887	Pa×s	315.33	Calculated Property
η	0.0005763	Pa×s	338.87	Calculated Property
η	0.0004935	Pa×s	362.41	Calculated Property
η	0.0004306	Pa×s	385.95	Calculated Property
η	0.0003818	Pa×s	409.50	Calculated Property
η	0.0003429	Pa×s	433.04	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydro-5,6-dimethyl-2H-pyran-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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