Chemical Properties of 2-Chloro-3-methylbenzoic acid (CAS 15068-35-6)

InChI

InChI=1S/C8H7ClO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key

LWOKLXMNGXXORN-UHFFFAOYSA-N

Formula

C8H7ClO2

SMILES

Cc1cccc(C(=O)O)c1Cl

Molecular Weight¹

170.59

CAS

15068-35-6

• 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_c : Critical 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 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	[150.06; 326.50]	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			7.80000e+00
Coefficient B			6.23520e-01
Coefficient C			-4.01520e-04
Coefficient D			9.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.06	J/mol×K	273.00	Calculated Property
Cp,gas	182.42	J/mol×K	353.78	Calculated Property
Cp,gas	210.87	J/mol×K	434.56	Calculated Property
Cp,gas	235.72	J/mol×K	515.33	Calculated Property
Cp,gas	257.29	J/mol×K	596.11	Calculated Property
Cp,gas	275.88	J/mol×K	676.89	Calculated Property
Cp,gas	291.78	J/mol×K	757.67	Calculated Property
Cp,gas	305.32	J/mol×K	838.44	Calculated Property
Cp,gas	316.79	J/mol×K	919.22	Calculated Property
Cp,gas	326.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009514; 0.0002640]	Pa×s	[421.90; 585.57]	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			-1.15437e+01
Coefficient B			1.93488e+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.			421.90
Temperature range, max.			585.57
η	0.0009514	Pa×s	421.90	Calculated Property
η	0.0007871	Pa×s	440.09	Calculated Property
η	0.0006611	Pa×s	458.27	Calculated Property
η	0.0005627	Pa×s	476.46	Calculated Property
η	0.0004847	Pa×s	494.64	Calculated Property
η	0.0004219	Pa×s	512.83	Calculated Property
η	0.0003708	Pa×s	531.02	Calculated Property
η	0.0003286	Pa×s	549.20	Calculated Property
η	0.0002935	Pa×s	567.39	Calculated Property
η	0.0002640	Pa×s	585.57	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-3-methylbenzoic 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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