Chemical Properties of Chloroacetic acid, 4-chlorophenyl ester

InChI

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

InChI Key

GEQGYTKAVRDKNR-UHFFFAOYSA-N

Formula

C8H6Cl2O2

SMILES

O=C(CCl)Oc1ccc(Cl)cc1

Molecular Weight¹

205.04

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[163.63; 335.14]	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			2.72010e+01
Coefficient B			5.84200e-01
Coefficient C			-3.21760e-04
Coefficient D			4.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.63	J/mol×K	273.00	Calculated Property
Cp,gas	195.62	J/mol×K	353.78	Calculated Property
Cp,gas	224.04	J/mol×K	434.56	Calculated Property
Cp,gas	249.04	J/mol×K	515.33	Calculated Property
Cp,gas	270.75	J/mol×K	596.11	Calculated Property
Cp,gas	289.33	J/mol×K	676.89	Calculated Property
Cp,gas	304.91	J/mol×K	757.67	Calculated Property
Cp,gas	317.64	J/mol×K	838.44	Calculated Property
Cp,gas	327.67	J/mol×K	919.22	Calculated Property
Cp,gas	335.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022059; 0.0002294]	Pa×s	[321.03; 542.84]	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			-1.16558e+01
Coefficient B			1.77824e+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.			321.03
Temperature range, max.			542.84
η	0.0022059	Pa×s	321.03	Calculated Property
η	0.0014862	Pa×s	345.68	Calculated Property
η	0.0010553	Pa×s	370.32	Calculated Property
η	0.0007821	Pa×s	394.97	Calculated Property
η	0.0006004	Pa×s	419.61	Calculated Property
η	0.0004746	Pa×s	444.26	Calculated Property
η	0.0003845	Pa×s	468.91	Calculated Property
η	0.0003182	Pa×s	493.55	Calculated Property
η	0.0002681	Pa×s	518.20	Calculated Property
η	0.0002294	Pa×s	542.84	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 4-chlorophenyl ester.

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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