Chemical Properties of Chloroacetic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C8H4Cl4O2/c9-3-8(13)14-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2

InChI Key

HERRLRXZMJPBFQ-UHFFFAOYSA-N

Formula

C8H4Cl4O2

SMILES

O=C(CCl)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

273.93

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[195.54; 345.60]	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			8.15810e+01
Coefficient B			4.78800e-01
Coefficient C			-2.28480e-04
Coefficient D			1.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.54	J/mol×K	273.00	Calculated Property
Cp,gas	222.98	J/mol×K	353.78	Calculated Property
Cp,gas	247.62	J/mol×K	434.56	Calculated Property
Cp,gas	269.52	J/mol×K	515.33	Calculated Property
Cp,gas	288.71	J/mol×K	596.11	Calculated Property
Cp,gas	305.24	J/mol×K	676.89	Calculated Property
Cp,gas	319.15	J/mol×K	757.67	Calculated Property
Cp,gas	330.48	J/mol×K	838.44	Calculated Property
Cp,gas	339.29	J/mol×K	919.22	Calculated Property
Cp,gas	345.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011208; 0.0002137]	Pa×s	[405.91; 608.83]	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			-1.17661e+01
Coefficient B			2.01836e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			405.91
Temperature range, max.			608.83
η	0.0011208	Pa×s	405.91	Calculated Property
η	0.0008628	Pa×s	428.46	Calculated Property
η	0.0006817	Pa×s	451.00	Calculated Property
η	0.0005509	Pa×s	473.55	Calculated Property
η	0.0004539	Pa×s	496.10	Calculated Property
η	0.0003803	Pa×s	518.64	Calculated Property
η	0.0003234	Pa×s	541.19	Calculated Property
η	0.0002786	Pa×s	563.74	Calculated Property
η	0.0002427	Pa×s	586.29	Calculated Property
η	0.0002137	Pa×s	608.83	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 2,4,5-trichlorophenyl 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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