Chemical Properties of Mesitylacetic acid

InChI

InChI=1S/C11H14O2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H,12,13)

InChI Key

CQWMQAKKAHTCSC-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

Cc1cc(C)c(CC(=O)O)c(C)c1

Molecular Weight¹

178.23

Other Names

• 2-Mesityleneacetic acid
• Benzeneacetic acid, 2,4,6-trimethyl-
• (2,4,6-trimethylphenyl)acetic acid

• 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).
• 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 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	[202.85; 469.96]	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			6.48100e+00
Coefficient B			8.42260e-01
Coefficient C			-4.77280e-04
Coefficient D			9.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.85	J/mol×K	273.00	Calculated Property
Cp,gas	249.08	J/mol×K	353.78	Calculated Property
Cp,gas	290.44	J/mol×K	434.56	Calculated Property
Cp,gas	327.26	J/mol×K	515.33	Calculated Property
Cp,gas	359.83	J/mol×K	596.11	Calculated Property
Cp,gas	388.47	J/mol×K	676.89	Calculated Property
Cp,gas	413.49	J/mol×K	757.67	Calculated Property
Cp,gas	435.20	J/mol×K	838.44	Calculated Property
Cp,gas	453.92	J/mol×K	919.22	Calculated Property
Cp,gas	469.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007787; 0.0002283]	Pa×s	[438.31; 600.12]	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			-1.17089e+01
Coefficient B			1.99478e+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.			438.31
Temperature range, max.			600.12
η	0.0007787	Pa×s	438.31	Calculated Property
η	0.0006509	Pa×s	456.29	Calculated Property
η	0.0005515	Pa×s	474.27	Calculated Property
η	0.0004729	Pa×s	492.25	Calculated Property
η	0.0004100	Pa×s	510.23	Calculated Property
η	0.0003589	Pa×s	528.21	Calculated Property
η	0.0003170	Pa×s	546.18	Calculated Property
η	0.0002821	Pa×s	564.16	Calculated Property
η	0.0002530	Pa×s	582.14	Calculated Property
η	0.0002283	Pa×s	600.12	Calculated Property

Similar Compounds

Find more compounds similar to Mesitylacetic acid.

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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