Chemical Properties of Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)- (CAS 28450-02-4)

InChI

InChI=1S/C8H12O2/c1-6-4-3-5-8(10-6)7(2)9/h4,8H,3,5H2,1-2H3

InChI Key

QIYRGBNUCNZLNY-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

CC(=O)C1CCC=C(C)O1

Molecular Weight¹

140.18

CAS

28450-02-4

Other Names

• 2-Acetyl-6-methyl-2,3-dihydropyran
• 3,4-Dihydro-6-methyl-2-acetyl-2H-pyran
• Ketone, 3,4-dihydro-6-methyl-2H-pyran-2-yl methyl

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[151.44; 391.33]	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			-2.32300e+01
Coefficient B			7.39440e-01
Coefficient C			-3.80040e-04
Coefficient D			5.51600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.44	J/mol×K	273.00	Calculated Property
Cp,gas	193.24	J/mol×K	353.78	Calculated Property
Cp,gas	230.86	J/mol×K	434.56	Calculated Property
Cp,gas	264.45	J/mol×K	515.33	Calculated Property
Cp,gas	294.20	J/mol×K	596.11	Calculated Property
Cp,gas	320.27	J/mol×K	676.89	Calculated Property
Cp,gas	342.85	J/mol×K	757.67	Calculated Property
Cp,gas	362.10	J/mol×K	838.44	Calculated Property
Cp,gas	378.20	J/mol×K	919.22	Calculated Property
Cp,gas	391.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034450; 0.0003166]	Pa×s	[277.08; 492.04]	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			-1.11351e+01
Coefficient B			1.51403e+03
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.			277.08
Temperature range, max.			492.04
η	0.0034450	Pa×s	277.08	Calculated Property
η	0.0022329	Pa×s	300.96	Calculated Property
η	0.0015425	Pa×s	324.85	Calculated Property
η	0.0011210	Pa×s	348.73	Calculated Property
η	0.0008487	Pa×s	372.62	Calculated Property
η	0.0006644	Pa×s	396.50	Calculated Property
η	0.0005348	Pa×s	420.39	Calculated Property
η	0.0004407	Pa×s	444.27	Calculated Property
η	0.0003704	Pa×s	468.16	Calculated Property
η	0.0003166	Pa×s	492.04	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-.

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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