Chemical Properties of 4-tert-Butyl-2,6-dimethylacetophenone

InChI

InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3

InChI Key

JNHLHPMTMTYLCP-UHFFFAOYSA-N

Formula

C14H20O

SMILES

CC(=O)c1c(C)cc(C(C)(C)C)cc1C

Molecular Weight¹

204.31

Other Names

• 4-t-Butyl-2,6-dimethylacetophenone
• Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
• Acetophenone, 4'-tert-butyl-2',6'-dimethyl-

• 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).
• 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).
• 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, 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	[252.34; 604.44]	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			-1.79600e+01
Coefficient B			1.17432e+00
Coefficient C			-7.20980e-04
Coefficient D			1.69060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.34	J/mol×K	273.00	Calculated Property
Cp,gas	314.74	J/mol×K	353.78	Calculated Property
Cp,gas	370.07	J/mol×K	434.56	Calculated Property
Cp,gas	418.87	J/mol×K	515.33	Calculated Property
Cp,gas	461.68	J/mol×K	596.11	Calculated Property
Cp,gas	499.02	J/mol×K	676.89	Calculated Property
Cp,gas	531.43	J/mol×K	757.67	Calculated Property
Cp,gas	559.45	J/mol×K	838.44	Calculated Property
Cp,gas	583.61	J/mol×K	919.22	Calculated Property
Cp,gas	604.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014848; 0.0001923]	Pa×s	[363.87; 580.16]	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			-1.19953e+01
Coefficient B			1.99505e+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.			363.87
Temperature range, max.			580.16
η	0.0014848	Pa×s	363.87	Calculated Property
η	0.0010572	Pa×s	387.90	Calculated Property
η	0.0007831	Pa×s	411.94	Calculated Property
η	0.0005996	Pa×s	435.97	Calculated Property
η	0.0004721	Pa×s	460.00	Calculated Property
η	0.0003807	Pa×s	484.03	Calculated Property
η	0.0003132	Pa×s	508.07	Calculated Property
η	0.0002623	Pa×s	532.10	Calculated Property
η	0.0002231	Pa×s	556.13	Calculated Property
η	0.0001923	Pa×s	580.16	Calculated Property

Similar Compounds

Find more compounds similar to 4-tert-Butyl-2,6-dimethylacetophenone.

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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