Chemical Properties of 2,4,5-T, ethyl ester

InChI

InChI=1S/C10H9Cl3O3/c1-2-15-10(14)5-16-9-4-7(12)6(11)3-8(9)13/h3-4H,2,5H2,1H3

InChI Key

LVNNFHCEDQSWSC-UHFFFAOYSA-N

Formula

C10H9Cl3O3

SMILES

CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

283.54

Other Names

• ethyl 2,4,5-trichlorophenoxyacetate
• (2,4,5-Trichlorophenoxy)acetic acid, ethyl ester

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_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, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.97; 459.01]	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			9.23720e+01
Coefficient B			5.98820e-01
Coefficient C			-2.05880e-04
Coefficient D			-2.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.97	J/mol×K	273.00	Calculated Property
Cp,gas	277.29	J/mol×K	353.78	Calculated Property
Cp,gas	311.56	J/mol×K	434.56	Calculated Property
Cp,gas	342.69	J/mol×K	515.33	Calculated Property
Cp,gas	370.61	J/mol×K	596.11	Calculated Property
Cp,gas	395.22	J/mol×K	676.89	Calculated Property
Cp,gas	416.45	J/mol×K	757.67	Calculated Property
Cp,gas	434.22	J/mol×K	838.44	Calculated Property
Cp,gas	448.43	J/mol×K	919.22	Calculated Property
Cp,gas	459.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008299; 0.0001600]	Pa×s	[420.76; 619.67]	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			-1.22217e+01
Coefficient B			2.15745e+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.			420.76
Temperature range, max.			619.67
η	0.0008299	Pa×s	420.76	Calculated Property
η	0.0006426	Pa×s	442.86	Calculated Property
η	0.0005097	Pa×s	464.96	Calculated Property
η	0.0004130	Pa×s	487.06	Calculated Property
η	0.0003407	Pa×s	509.16	Calculated Property
η	0.0002857	Pa×s	531.26	Calculated Property
η	0.0002429	Pa×s	553.36	Calculated Property
η	0.0002091	Pa×s	575.47	Calculated Property
η	0.0001820	Pa×s	597.57	Calculated Property
η	0.0001600	Pa×s	619.67	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-T, ethyl 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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