Chemical Properties of m-Chlorophenylacetic acid (CAS 1878-65-5)

InChI

InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChI Key

WFPMUFXQDKMVCO-UHFFFAOYSA-N

Formula

C8H7ClO2

SMILES

O=C(O)Cc1cccc(Cl)c1

Molecular Weight¹

170.59

CAS

1878-65-5

Other Names

• (3-chlorophenyl)ethanoic acid
• 3-Chlorobenzeneacetic acid
• 3-Chlorophenylacetic acid
• 3-chlorobenzeneethanoic acid
• Acetic acid, (m-chlorophenyl)-
• Benzeneacetic acid, 3-chloro-
• Meta-chlorophenyl 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_c : Critical Pressure (kPa).
• 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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.51; 329.54]	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			-6.49900e+00
Coefficient B			6.83000e-01
Coefficient C			-4.68560e-04
Coefficient D			1.21600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.51	J/mol×K	273.00	Calculated Property
Cp,gas	181.87	J/mol×K	353.78	Calculated Property
Cp,gas	211.80	J/mol×K	434.56	Calculated Property
Cp,gas	237.68	J/mol×K	515.33	Calculated Property
Cp,gas	259.90	J/mol×K	596.11	Calculated Property
Cp,gas	278.84	J/mol×K	676.89	Calculated Property
Cp,gas	294.90	J/mol×K	757.67	Calculated Property
Cp,gas	308.44	J/mol×K	838.44	Calculated Property
Cp,gas	319.86	J/mol×K	919.22	Calculated Property
Cp,gas	329.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011293; 0.0002688]	Pa×s	[409.38; 581.39]	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			-1.16377e+01
Coefficient B			1.98614e+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.			409.38
Temperature range, max.			581.39
η	0.0011293	Pa×s	409.38	Calculated Property
η	0.0009096	Pa×s	428.49	Calculated Property
η	0.0007463	Pa×s	447.60	Calculated Property
η	0.0006223	Pa×s	466.72	Calculated Property
η	0.0005263	Pa×s	485.83	Calculated Property
η	0.0004509	Pa×s	504.94	Calculated Property
η	0.0003906	Pa×s	524.05	Calculated Property
η	0.0003419	Pa×s	543.16	Calculated Property
η	0.0003019	Pa×s	562.27	Calculated Property
η	0.0002688	Pa×s	581.39	Calculated Property

Similar Compounds

Find more compounds similar to m-Chlorophenylacetic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermochemistry of phenylacetic and monochlorophenylacetic acids
• Joback Method
• McGowan Method
• NIST Webbook

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