Chemical Properties of Chloroacetic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C8H5Cl3O2/c9-4-8(12)13-5-1-2-6(10)7(11)3-5/h1-3H,4H2

InChI Key

CNALHVZXVPTLGY-UHFFFAOYSA-N

Formula

C8H5Cl3O2

SMILES

O=C(CCl)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

239.49

• 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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.70	kJ/mol	Joback Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	3.138		Crippen Calculated Property
McVol	143.980	ml/mol	McGowan Calculated Property
Inp	[1595.00; 1595.00]
Inp	1595.00		NIST
Inp	1595.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy 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	[179.59; 340.37]	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			5.43910e+01
Coefficient B			5.31500e-01
Coefficient C			-2.75120e-04
Coefficient D			2.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.59	J/mol×K	273.00	Calculated Property
Cp,gas	209.30	J/mol×K	353.78	Calculated Property
Cp,gas	235.83	J/mol×K	434.56	Calculated Property
Cp,gas	259.28	J/mol×K	515.33	Calculated Property
Cp,gas	279.73	J/mol×K	596.11	Calculated Property
Cp,gas	297.28	J/mol×K	676.89	Calculated Property
Cp,gas	312.03	J/mol×K	757.67	Calculated Property
Cp,gas	324.06	J/mol×K	838.44	Calculated Property
Cp,gas	333.48	J/mol×K	919.22	Calculated Property
Cp,gas	340.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015372; 0.0002237]	Pa×s	[363.47; 576.10]	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			-1.17005e+01
Coefficient B			1.89830e+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.			363.47
Temperature range, max.			576.10
η	0.0015372	Pa×s	363.47	Calculated Property
η	0.0011176	Pa×s	387.10	Calculated Property
η	0.0008429	Pa×s	410.72	Calculated Property
η	0.0006555	Pa×s	434.35	Calculated Property
η	0.0005232	Pa×s	457.97	Calculated Property
η	0.0004270	Pa×s	481.60	Calculated Property
η	0.0003551	Pa×s	505.22	Calculated Property
η	0.0003002	Pa×s	528.85	Calculated Property
η	0.0002575	Pa×s	552.47	Calculated Property
η	0.0002237	Pa×s	576.10	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 3,4-dichlorophenyl 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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