Chemical Properties of 2-(2,4,5-Trichlorophenoxy)ethyl 2,2,3-trichloropropanoate (CAS 99973-91-8)

InChI

InChI=1S/C11H8Cl6O3/c12-5-11(16,17)10(18)20-2-1-19-9-4-7(14)6(13)3-8(9)15/h3-4H,1-2,5H2

InChI Key

MAYFADXVXKRHMA-UHFFFAOYSA-N

Formula

C11H8Cl6O3

SMILES

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

Molecular Weight¹

400.90

CAS

99973-91-8

• 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	[299.94; 536.88]	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			1.05663e+02
Coefficient B			8.40000e-01
Coefficient C			-4.93280e-04
Coefficient D			8.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.94	J/mol×K	273.00	Calculated Property
Cp,gas	344.84	J/mol×K	353.78	Calculated Property
Cp,gas	384.47	J/mol×K	434.56	Calculated Property
Cp,gas	419.11	J/mol×K	515.33	Calculated Property
Cp,gas	449.01	J/mol×K	596.11	Calculated Property
Cp,gas	474.45	J/mol×K	676.89	Calculated Property
Cp,gas	495.68	J/mol×K	757.67	Calculated Property
Cp,gas	512.99	J/mol×K	838.44	Calculated Property
Cp,gas	526.64	J/mol×K	919.22	Calculated Property
Cp,gas	536.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004283; 0.0000884]	Pa×s	[524.21; 723.14]	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			-1.34903e+01
Coefficient B			3.00611e+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.			524.21
Temperature range, max.			723.14
η	0.0004283	Pa×s	524.21	Calculated Property
η	0.0003396	Pa×s	546.31	Calculated Property
η	0.0002742	Pa×s	568.42	Calculated Property
η	0.0002249	Pa×s	590.52	Calculated Property
η	0.0001872	Pa×s	612.62	Calculated Property
η	0.0001578	Pa×s	634.73	Calculated Property
η	0.0001345	Pa×s	656.83	Calculated Property
η	0.0001159	Pa×s	678.93	Calculated Property
η	0.0001008	Pa×s	701.03	Calculated Property
η	0.0000884	Pa×s	723.14	Calculated Property

Similar Compounds

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