Chemical Properties of Pentachlorophenyl salicylate

InChI

InChI=1S/C13H5Cl5O3/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(20)5-3-1-2-4-6(5)19/h1-4,19H

InChI Key

ZMZPNTFEPFRJHW-UHFFFAOYSA-N

Formula

C13H5Cl5O3

SMILES

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

Molecular Weight¹

386.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[279.75; 509.64]	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			7.57000e+01
Coefficient B			9.17300e-01
Coefficient C			-6.74360e-04
Coefficient D			1.91000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.75	J/mol×K	273.00	Calculated Property
Cp,gas	324.28	J/mol×K	353.78	Calculated Property
Cp,gas	362.65	J/mol×K	434.56	Calculated Property
Cp,gas	395.47	J/mol×K	515.33	Calculated Property
Cp,gas	423.34	J/mol×K	596.11	Calculated Property
Cp,gas	446.87	J/mol×K	676.89	Calculated Property
Cp,gas	466.66	J/mol×K	757.67	Calculated Property
Cp,gas	483.32	J/mol×K	838.44	Calculated Property
Cp,gas	497.44	J/mol×K	919.22	Calculated Property
Cp,gas	509.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000330; 0.0000071]	Pa×s	[655.36; 816.80]	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			-1.81070e+01
Coefficient B			5.10416e+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.			655.36
Temperature range, max.			816.80
η	0.0000330	Pa×s	655.36	Calculated Property
η	0.0000268	Pa×s	673.30	Calculated Property
η	0.0000220	Pa×s	691.23	Calculated Property
η	0.0000183	Pa×s	709.17	Calculated Property
η	0.0000153	Pa×s	727.11	Calculated Property
η	0.0000129	Pa×s	745.05	Calculated Property
η	0.0000110	Pa×s	762.98	Calculated Property
η	0.0000094	Pa×s	780.92	Calculated Property
η	0.0000081	Pa×s	798.86	Calculated Property
η	0.0000071	Pa×s	816.80	Calculated Property

Similar Compounds

Find more compounds similar to Pentachlorophenyl 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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