Chemical Properties of 2,3,5,6-Tetramethylacetophenone (CAS 2142-79-2)

InChI

InChI=1S/C12H16O/c1-7-6-8(2)10(4)12(9(7)3)11(5)13/h6H,1-5H3

InChI Key

JCNRSGPJXDRATR-UHFFFAOYSA-N

Formula

C12H16O

SMILES

CC(=O)c1c(C)c(C)cc(C)c1C

Molecular Weight¹

176.25

CAS

2142-79-2

Other Names

• 2',3',5',6'-Tetramethylacetophenone
• Acetophenone, 2',3',5',6'-tetramethyl-
• Ethanone, 1-(2,3,5,6-tetramethylphenyl)-
• Methyl duryl ketone
• 1,2,4,5-Tetramethyl-3-acetylbenzene

• ω : Acentric Factor.
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.92; 496.75]	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			2.26300e+01
Coefficient B			7.99000e-01
Coefficient C			-3.73340e-04
Coefficient D			4.84600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.92	J/mol×K	273.00	Calculated Property
Cp,gas	260.72	J/mol×K	353.78	Calculated Property
Cp,gas	303.32	J/mol×K	434.56	Calculated Property
Cp,gas	341.87	J/mol×K	515.33	Calculated Property
Cp,gas	376.52	J/mol×K	596.11	Calculated Property
Cp,gas	407.44	J/mol×K	676.89	Calculated Property
Cp,gas	434.76	J/mol×K	757.67	Calculated Property
Cp,gas	458.66	J/mol×K	838.44	Calculated Property
Cp,gas	479.27	J/mol×K	919.22	Calculated Property
Cp,gas	496.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011068; 0.0002324]	Pa×s	[351.43; 550.87]	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			-1.11170e+01
Coefficient B			1.51493e+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.			351.43
Temperature range, max.			550.87
η	0.0011068	Pa×s	351.43	Calculated Property
η	0.0008571	Pa×s	373.59	Calculated Property
η	0.0006830	Pa×s	395.75	Calculated Property
η	0.0005575	Pa×s	417.91	Calculated Property
η	0.0004645	Pa×s	440.07	Calculated Property
η	0.0003938	Pa×s	462.23	Calculated Property
η	0.0003390	Pa×s	484.39	Calculated Property
η	0.0002956	Pa×s	506.55	Calculated Property
η	0.0002608	Pa×s	528.71	Calculated Property
η	0.0002324	Pa×s	550.87	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,5,6-Tetramethylacetophenone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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