Chemical Properties of Benzoic acid, 2,4-dichloro-, ethyl ester (CAS 56882-52-1)

InChI

InChI=1S/C9H8Cl2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3

InChI Key

ZBBGAUHWTZKKQQ-UHFFFAOYSA-N

Formula

C9H8Cl2O2

SMILES

CCOC(=O)c1ccc(Cl)cc1Cl

Molecular Weight¹

219.06

CAS

56882-52-1

Other Names

• Ethyl 2,4-dichlorobenzoate

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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 Volume, Standard Gibbs free energy of formation 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	[187.40; 383.69]	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			4.05910e+01
Coefficient B			6.19720e-01
Coefficient C			-3.09120e-04
Coefficient D			3.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.40	J/mol×K	273.00	Calculated Property
Cp,gas	222.58	J/mol×K	353.78	Calculated Property
Cp,gas	254.19	J/mol×K	434.56	Calculated Property
Cp,gas	282.31	J/mol×K	515.33	Calculated Property
Cp,gas	307.05	J/mol×K	596.11	Calculated Property
Cp,gas	328.52	J/mol×K	676.89	Calculated Property
Cp,gas	346.81	J/mol×K	757.67	Calculated Property
Cp,gas	362.04	J/mol×K	838.44	Calculated Property
Cp,gas	374.30	J/mol×K	919.22	Calculated Property
Cp,gas	383.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016398; 0.0002153]	Pa×s	[344.82; 560.12]	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			-1.16946e+01
Coefficient B			1.82114e+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.			344.82
Temperature range, max.			560.12
η	0.0016398	Pa×s	344.82	Calculated Property
η	0.0011641	Pa×s	368.74	Calculated Property
η	0.0008616	Pa×s	392.66	Calculated Property
η	0.0006602	Pa×s	416.59	Calculated Property
η	0.0005206	Pa×s	440.51	Calculated Property
η	0.0004208	Pa×s	464.43	Calculated Property
η	0.0003473	Pa×s	488.35	Calculated Property
η	0.0002918	Pa×s	512.27	Calculated Property
η	0.0002490	Pa×s	536.20	Calculated Property
η	0.0002153	Pa×s	560.12	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2,4-dichloro-, ethyl ester.

Sources

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

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