Chemical Properties of 3,4-Dichlorophenylacetic acid (CAS 5807-30-7)

InChI

InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)

InChI Key

ZOUPGSMSNQLUNW-UHFFFAOYSA-N

Formula

C8H6Cl2O2

SMILES

O=C(O)Cc1ccc(Cl)c(Cl)c1

Molecular Weight¹

205.04

CAS

5807-30-7

Other Names

• Benzeneacetic acid, 3,4-dichloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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, Enthalpy of formation 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	[163.47; 334.77]	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			2.06910e+01
Coefficient B			6.30300e-01
Coefficient C			-4.21920e-04
Coefficient D			1.05700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.47	J/mol×K	273.00	Calculated Property
Cp,gas	195.55	J/mol×K	353.78	Calculated Property
Cp,gas	223.59	J/mol×K	434.56	Calculated Property
Cp,gas	247.92	J/mol×K	515.33	Calculated Property
Cp,gas	268.88	J/mol×K	596.11	Calculated Property
Cp,gas	286.80	J/mol×K	676.89	Calculated Property
Cp,gas	302.02	J/mol×K	757.67	Calculated Property
Cp,gas	314.86	J/mol×K	838.44	Calculated Property
Cp,gas	325.67	J/mol×K	919.22	Calculated Property
Cp,gas	334.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009190; 0.0002682]	Pa×s	[451.82; 614.04]	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			-1.16538e+01
Coefficient B			2.10620e+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.			451.82
Temperature range, max.			614.04
η	0.0009190	Pa×s	451.82	Calculated Property
η	0.0007685	Pa×s	469.84	Calculated Property
η	0.0006512	Pa×s	487.87	Calculated Property
η	0.0005584	Pa×s	505.89	Calculated Property
η	0.0004839	Pa×s	523.92	Calculated Property
η	0.0004233	Pa×s	541.94	Calculated Property
η	0.0003735	Pa×s	559.97	Calculated Property
η	0.0003322	Pa×s	577.99	Calculated Property
η	0.0002975	Pa×s	596.02	Calculated Property
η	0.0002682	Pa×s	614.04	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dichlorophenylacetic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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