Chemical Properties of Alpha-(2,4,5-trichlorophenoxy)isobutyric acid

InChI

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

InChI Key

DKOMOJHAYIPFNS-UHFFFAOYSA-N

Formula

C10H9Cl3O3

SMILES

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

Molecular Weight¹

283.54

• 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).
• 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	[235.80; 463.15]	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			4.70900e+01
Coefficient B			8.30240e-01
Coefficient C			-5.44880e-04
Coefficient D			1.30700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.80	J/mol×K	273.00	Calculated Property
Cp,gas	278.40	J/mol×K	353.78	Calculated Property
Cp,gas	315.71	J/mol×K	434.56	Calculated Property
Cp,gas	348.12	J/mol×K	515.33	Calculated Property
Cp,gas	376.07	J/mol×K	596.11	Calculated Property
Cp,gas	399.95	J/mol×K	676.89	Calculated Property
Cp,gas	420.19	J/mol×K	757.67	Calculated Property
Cp,gas	437.19	J/mol×K	838.44	Calculated Property
Cp,gas	451.37	J/mol×K	919.22	Calculated Property
Cp,gas	463.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004446; 0.0001459]	Pa×s	[541.45; 691.68]	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			-1.28477e+01
Coefficient B			2.77721e+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.			541.45
Temperature range, max.			691.68
η	0.0004446	Pa×s	541.45	Calculated Property
η	0.0003813	Pa×s	558.14	Calculated Property
η	0.0003300	Pa×s	574.83	Calculated Property
η	0.0002880	Pa×s	591.53	Calculated Property
η	0.0002532	Pa×s	608.22	Calculated Property
η	0.0002241	Pa×s	624.91	Calculated Property
η	0.0001996	Pa×s	641.60	Calculated Property
η	0.0001789	Pa×s	658.30	Calculated Property
η	0.0001611	Pa×s	674.99	Calculated Property
η	0.0001459	Pa×s	691.68	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-(2,4,5-trichlorophenoxy)isobutyric acid.

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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