Chemical Properties of 2,3,4,6-Tetrachlorophenyl salicylate (CAS 116465-50-0)

InChI

InChI=1S/C13H6Cl4O3/c14-7-5-8(15)12(11(17)10(7)16)20-13(19)6-3-1-2-4-9(6)18/h1-5,18H

InChI Key

OAZWQPUQRAFSIK-UHFFFAOYSA-N

Formula

C13H6Cl4O3

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1ccccc1O

Molecular Weight¹

352.00

CAS

116465-50-0

• 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_c : Critical 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 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	[263.79; 504.41]	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			4.85100e+01
Coefficient B			9.70000e-01
Coefficient C			-7.21000e-04
Coefficient D			2.06900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.79	J/mol×K	273.00	Calculated Property
Cp,gas	310.60	J/mol×K	353.78	Calculated Property
Cp,gas	350.85	J/mol×K	434.56	Calculated Property
Cp,gas	385.22	J/mol×K	515.33	Calculated Property
Cp,gas	414.36	J/mol×K	596.11	Calculated Property
Cp,gas	438.91	J/mol×K	676.89	Calculated Property
Cp,gas	459.54	J/mol×K	757.67	Calculated Property
Cp,gas	476.90	J/mol×K	838.44	Calculated Property
Cp,gas	491.63	J/mol×K	919.22	Calculated Property
Cp,gas	504.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000518; 0.0000087]	Pa×s	[612.92; 785.76]	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			-1.80004e+01
Coefficient B			4.98410e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			612.92
Temperature range, max.			785.76
η	0.0000518	Pa×s	612.92	Calculated Property
η	0.0000404	Pa×s	632.12	Calculated Property
η	0.0000321	Pa×s	651.33	Calculated Property
η	0.0000257	Pa×s	670.53	Calculated Property
η	0.0000209	Pa×s	689.74	Calculated Property
η	0.0000172	Pa×s	708.94	Calculated Property
η	0.0000143	Pa×s	728.15	Calculated Property
η	0.0000120	Pa×s	747.35	Calculated Property
η	0.0000101	Pa×s	766.55	Calculated Property
η	0.0000087	Pa×s	785.76	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,6-Tetrachlorophenyl salicylate.

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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