Chemical Properties of 4-(2,4-Dichlorophenoxy)butyl 2,2,3-trichloropropanoate

InChI

InChI=1S/C13H13Cl5O3/c14-8-13(17,18)12(19)21-6-2-1-5-20-11-4-3-9(15)7-10(11)16/h3-4,7H,1-2,5-6,8H2

InChI Key

BGPDOPQNJMHBIX-UHFFFAOYSA-N

Formula

C13H13Cl5O3

SMILES

O=C(OCCCCOc1ccc(Cl)cc1Cl)C(Cl)(Cl)CCl

Molecular Weight¹

394.51

• 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).
• IE : Ionization energy (eV).
• 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 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	[326.41; 634.84]	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			7.66550e+01
Coefficient B			1.08270e+00
Coefficient C			-6.48720e-04
Coefficient D			1.24200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.41	J/mol×K	273.00	Calculated Property
Cp,gas	384.00	J/mol×K	353.78	Calculated Property
Cp,gas	434.84	J/mol×K	434.56	Calculated Property
Cp,gas	479.32	J/mol×K	515.33	Calculated Property
Cp,gas	517.85	J/mol×K	596.11	Calculated Property
Cp,gas	550.81	J/mol×K	676.89	Calculated Property
Cp,gas	578.60	J/mol×K	757.67	Calculated Property
Cp,gas	601.60	J/mol×K	838.44	Calculated Property
Cp,gas	620.22	J/mol×K	919.22	Calculated Property
Cp,gas	634.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004964; 0.0000809]	Pa×s	[504.31; 718.00]	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			-1.37044e+01
Coefficient B			3.07437e+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.			504.31
Temperature range, max.			718.00
η	0.0004964	Pa×s	504.31	Calculated Property
η	0.0003774	Pa×s	528.05	Calculated Property
η	0.0002937	Pa×s	551.80	Calculated Property
η	0.0002334	Pa×s	575.54	Calculated Property
η	0.0001889	Pa×s	599.28	Calculated Property
η	0.0001554	Pa×s	623.02	Calculated Property
η	0.0001296	Pa×s	646.77	Calculated Property
η	0.0001095	Pa×s	670.51	Calculated Property
η	0.0000936	Pa×s	694.25	Calculated Property
η	0.0000809	Pa×s	718.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-(2,4-Dichlorophenoxy)butyl 2,2,3-trichloropropanoate.

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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