Chemical Properties of 2H-Pyran-2-one, tetrahydro-6,6-dimethyl-

InChI

InChI=1S/C7H12O2/c1-7(2)5-3-4-6(8)9-7/h3-5H2,1-2H3

InChI Key

NALPFDQXLZMHJD-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

CC1(C)CCCC(=O)O1

Molecular Weight¹

128.17

Other Names

• 5-Methyl-5-hydroxyhexanoic acid lactone
• 5-Methylhexan-5-olide
• Tetrahydro-6,6-dimethyl-2H-pyran-2-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, 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	[138.05; 377.42]	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			-8.34200e+01
Coefficient B			1.04724e+00
Coefficient C			-9.68800e-04
Coefficient D			3.82400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.05	J/mol×K	273.00	Calculated Property
Cp,gas	182.75	J/mol×K	353.78	Calculated Property
Cp,gas	220.10	J/mol×K	434.56	Calculated Property
Cp,gas	251.31	J/mol×K	515.33	Calculated Property
Cp,gas	277.59	J/mol×K	596.11	Calculated Property
Cp,gas	300.16	J/mol×K	676.89	Calculated Property
Cp,gas	320.21	J/mol×K	757.67	Calculated Property
Cp,gas	338.97	J/mol×K	838.44	Calculated Property
Cp,gas	357.64	J/mol×K	919.22	Calculated Property
Cp,gas	377.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6,6-dimethyl-.

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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