Chemical Properties of 3-Phenylpropionic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C15H10Cl4O2/c16-10-8-11(17)15(14(19)13(10)18)21-12(20)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChI Key

VQWOGTZZJINORW-UHFFFAOYSA-N

Formula

C15H10Cl4O2

SMILES

O=C(CCc1ccccc1)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

364.05

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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 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	[289.33; 585.17]	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			5.56120e+01
Coefficient B			1.00540e+00
Coefficient C			-5.73440e-04
Coefficient D			9.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.33	J/mol×K	273.00	Calculated Property
Cp,gas	343.85	J/mol×K	353.78	Calculated Property
Cp,gas	392.24	J/mol×K	434.56	Calculated Property
Cp,gas	434.80	J/mol×K	515.33	Calculated Property
Cp,gas	471.85	J/mol×K	596.11	Calculated Property
Cp,gas	503.69	J/mol×K	676.89	Calculated Property
Cp,gas	530.63	J/mol×K	757.67	Calculated Property
Cp,gas	552.99	J/mol×K	838.44	Calculated Property
Cp,gas	571.07	J/mol×K	919.22	Calculated Property
Cp,gas	585.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005072; 0.0001094]	Pa×s	[523.74; 750.49]	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			-1.26647e+01
Coefficient B			2.65964e+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.			523.74
Temperature range, max.			750.49
η	0.0005072	Pa×s	523.74	Calculated Property
η	0.0004018	Pa×s	548.93	Calculated Property
η	0.0003248	Pa×s	574.13	Calculated Property
η	0.0002673	Pa×s	599.32	Calculated Property
η	0.0002235	Pa×s	624.52	Calculated Property
η	0.0001895	Pa×s	649.71	Calculated Property
η	0.0001626	Pa×s	674.91	Calculated Property
η	0.0001411	Pa×s	700.10	Calculated Property
η	0.0001237	Pa×s	725.30	Calculated Property
η	0.0001094	Pa×s	750.49	Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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