Chemical Properties of 2-(p-Chlorophenyl)-3-methylbutyric acid

InChI

InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)

InChI Key

VTJMSIIXXKNIDJ-UHFFFAOYSA-N

Formula

C11H13ClO2

SMILES

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

Molecular Weight¹

212.68

Other Names

• 2-(4-chlorophenyl)-3-methylbutyric acid
• Benzeneacetic acid, 4-chloro-«alpha»-(1-methylethyl)-
• Butyric acid, 2-(p-chlorophenyl)-3-methyl-
• «alpha»-(p-Chlorophenyl)isovaleric 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	[210.53; 485.39]	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			-1.25900e+01
Coefficient B			9.79840e-01
Coefficient C			-6.38160e-04
Coefficient D			1.56300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.53	J/mol×K	273.00	Calculated Property
Cp,gas	261.11	J/mol×K	353.78	Calculated Property
Cp,gas	305.52	J/mol×K	434.56	Calculated Property
Cp,gas	344.27	J/mol×K	515.33	Calculated Property
Cp,gas	377.84	J/mol×K	596.11	Calculated Property
Cp,gas	406.74	J/mol×K	676.89	Calculated Property
Cp,gas	431.44	J/mol×K	757.67	Calculated Property
Cp,gas	452.46	J/mol×K	838.44	Calculated Property
Cp,gas	470.28	J/mol×K	919.22	Calculated Property
Cp,gas	485.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013486; 0.0001960]	Pa×s	[413.19; 625.98]	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			-1.22822e+01
Coefficient B			2.34426e+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.			413.19
Temperature range, max.			625.98
η	0.0013486	Pa×s	413.19	Calculated Property
η	0.0009920	Pa×s	436.83	Calculated Property
η	0.0007531	Pa×s	460.48	Calculated Property
η	0.0005873	Pa×s	484.12	Calculated Property
η	0.0004688	Pa×s	507.76	Calculated Property
η	0.0003817	Pa×s	531.41	Calculated Property
η	0.0003163	Pa×s	555.05	Calculated Property
η	0.0002662	Pa×s	578.69	Calculated Property
η	0.0002271	Pa×s	602.34	Calculated Property
η	0.0001960	Pa×s	625.98	Calculated Property

Similar Compounds

Find more compounds similar to 2-(p-Chlorophenyl)-3-methylbutyric 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.