Chemical Properties of 2-(p-Chlorophenyl)-2-methylpropionic acid (CAS 6258-30-6)

InChI

InChI=1S/C10H11ClO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)

InChI Key

SSFDAZXGUKDEAH-UHFFFAOYSA-N

Formula

C10H11ClO2

SMILES

CC(C)(C(=O)O)c1ccc(Cl)cc1

Molecular Weight¹

198.65

CAS

6258-30-6

Other Names

• 4-Chloro-«alpha»,«alpha»-dimethylphenylacetic acid
• Benzeneacetic acid, 4-chloro-«alpha»,«alpha»-dimethyl-
• 2-(4-chlorophenyl)-2-methylpropionic 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).
• 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, Enthalpy of vaporization at standard conditions, 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	[188.48; 434.19]	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			-3.27900e+01
Coefficient B			9.98840e-01
Coefficient C			-7.49160e-04
Coefficient D			2.17300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.48	J/mol×K	273.00	Calculated Property
Cp,gas	236.44	J/mol×K	353.78	Calculated Property
Cp,gas	277.62	J/mol×K	434.56	Calculated Property
Cp,gas	312.73	J/mol×K	515.33	Calculated Property
Cp,gas	342.45	J/mol×K	596.11	Calculated Property
Cp,gas	367.46	J/mol×K	676.89	Calculated Property
Cp,gas	388.45	J/mol×K	757.67	Calculated Property
Cp,gas	406.11	J/mol×K	838.44	Calculated Property
Cp,gas	421.13	J/mol×K	919.22	Calculated Property
Cp,gas	434.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010517; 0.0002061]	Pa×s	[434.34; 614.46]	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			-1.24175e+01
Coefficient B			2.41500e+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.			434.34
Temperature range, max.			614.46
η	0.0010517	Pa×s	434.34	Calculated Property
η	0.0008233	Pa×s	454.35	Calculated Property
η	0.0006579	Pa×s	474.37	Calculated Property
η	0.0005354	Pa×s	494.38	Calculated Property
η	0.0004427	Pa×s	514.39	Calculated Property
η	0.0003713	Pa×s	534.41	Calculated Property
η	0.0003154	Pa×s	554.42	Calculated Property
η	0.0002710	Pa×s	574.43	Calculated Property
η	0.0002353	Pa×s	594.45	Calculated Property
η	0.0002061	Pa×s	614.46	Calculated Property

Similar Compounds

Find more compounds similar to 2-(p-Chlorophenyl)-2-methylpropionic 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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