Chemical Properties of 2H-Pyran-2-one, 5,6-dihydro-3,5,5-trimethyl- (CAS 74793-10-5)

InChI

InChI=1S/C8H12O2/c1-6-4-8(2,3)5-10-7(6)9/h4H,5H2,1-3H3

InChI Key

QQKORHIXEIINLR-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

CC1=CC(C)(C)COC1=O

Molecular Weight¹

140.18

CAS

74793-10-5

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[155.34; 394.67]	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			-6.22500e+01
Coefficient B			1.02676e+00
Coefficient C			-9.43440e-04
Coefficient D			3.73600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.34	J/mol×K	273.00	Calculated Property
Cp,gas	199.46	J/mol×K	353.78	Calculated Property
Cp,gas	236.43	J/mol×K	434.56	Calculated Property
Cp,gas	267.46	J/mol×K	515.33	Calculated Property
Cp,gas	293.70	J/mol×K	596.11	Calculated Property
Cp,gas	316.36	J/mol×K	676.89	Calculated Property
Cp,gas	336.60	J/mol×K	757.67	Calculated Property
Cp,gas	355.61	J/mol×K	838.44	Calculated Property
Cp,gas	374.57	J/mol×K	919.22	Calculated Property
Cp,gas	394.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, 5,6-dihydro-3,5,5-trimethyl-.

Sources

• 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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