Chemical Properties of p-Toluic acid, 3-chloro- (CAS 5162-82-3)

InChI

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

InChI Key

SDKUOEOJAXGCLU-UHFFFAOYSA-N

Formula

C8H7ClO2

SMILES

Cc1ccc(C(=O)O)cc1Cl

Molecular Weight¹

170.59

CAS

5162-82-3

Other Names

• 3-Chloro-4-methylbenzoic acid
• 3-Chloro-p-toluic acid
• Benzoic acid, 3-chloro-4-methyl-

• 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_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, 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	[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	[0.0005840; 0.0002640]	Pa×s	[472.15; 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.			472.15
Temperature range, max.			585.57
η	0.0005840	Pa×s	472.15	Calculated Property
η	0.0005249	Pa×s	484.75	Calculated Property
η	0.0004744	Pa×s	497.36	Calculated Property
η	0.0004310	Pa×s	509.96	Calculated Property
η	0.0003933	Pa×s	522.56	Calculated Property
η	0.0003604	Pa×s	535.16	Calculated Property
η	0.0003317	Pa×s	547.77	Calculated Property
η	0.0003063	Pa×s	560.37	Calculated Property
η	0.0002839	Pa×s	572.97	Calculated Property
η	0.0002640	Pa×s	585.57	Calculated Property

Similar Compounds

Find more compounds similar to p-Toluic acid, 3-chloro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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