Chemical Properties of 2-(2,4,5-Trichlorophenoxy)ethyl trichloroacetate (CAS 25056-70-6)

InChI

InChI=1S/C10H6Cl6O3/c11-5-3-7(13)8(4-6(5)12)18-1-2-19-9(17)10(14,15)16/h3-4H,1-2H2

InChI Key

FFRUQSUMDFNBLG-UHFFFAOYSA-N

Formula

C10H6Cl6O3

SMILES

O=C(OCCOc1cc(Cl)c(Cl)cc1Cl)C(Cl)(Cl)Cl

Molecular Weight¹

386.87

CAS

25056-70-6

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[278.72; 485.29]	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			1.06572e+02
Coefficient B			7.45000e-01
Coefficient C			-4.38880e-04
Coefficient D			7.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.72	J/mol×K	273.00	Calculated Property
Cp,gas	318.42	J/mol×K	353.78	Calculated Property
Cp,gas	353.40	J/mol×K	434.56	Calculated Property
Cp,gas	383.88	J/mol×K	515.33	Calculated Property
Cp,gas	410.10	J/mol×K	596.11	Calculated Property
Cp,gas	432.28	J/mol×K	676.89	Calculated Property
Cp,gas	450.67	J/mol×K	757.67	Calculated Property
Cp,gas	465.48	J/mol×K	838.44	Calculated Property
Cp,gas	476.94	J/mol×K	919.22	Calculated Property
Cp,gas	485.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004761; 0.0000983]	Pa×s	[512.94; 710.25]	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			-1.33269e+01
Coefficient B			2.91195e+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.			512.94
Temperature range, max.			710.25
η	0.0004761	Pa×s	512.94	Calculated Property
η	0.0003772	Pa×s	534.86	Calculated Property
η	0.0003045	Pa×s	556.79	Calculated Property
η	0.0002497	Pa×s	578.71	Calculated Property
η	0.0002078	Pa×s	600.63	Calculated Property
η	0.0001752	Pa×s	622.55	Calculated Property
η	0.0001494	Pa×s	644.48	Calculated Property
η	0.0001288	Pa×s	666.40	Calculated Property
η	0.0001121	Pa×s	688.32	Calculated Property
η	0.0000983	Pa×s	710.25	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2,4,5-Trichlorophenoxy)ethyl trichloroacetate.

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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