Chemical Properties of Fumaric acid, hexyl pentachlorophenyl ester

InChI

InChI=1S/C16H15Cl5O4/c1-2-3-4-5-8-24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h6-7H,2-5,8H2,1H3/b7-6+

InChI Key

HIPBUHXRIHIIST-VOTSOKGWSA-N

Formula

C16H15Cl5O4

SMILES

CCCCCCOC(=O)C=CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

448.55

• 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).
• 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_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 Volume, 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	[386.09; 738.04]	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			1.27025e+02
Coefficient B			1.09182e+00
Coefficient C			-5.39200e-04
Coefficient D			5.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.09	J/mol×K	273.00	Calculated Property
Cp,gas	448.39	J/mol×K	353.78	Calculated Property
Cp,gas	504.45	J/mol×K	434.56	Calculated Property
Cp,gas	554.47	J/mol×K	515.33	Calculated Property
Cp,gas	598.64	J/mol×K	596.11	Calculated Property
Cp,gas	637.13	J/mol×K	676.89	Calculated Property
Cp,gas	670.13	J/mol×K	757.67	Calculated Property
Cp,gas	697.83	J/mol×K	838.44	Calculated Property
Cp,gas	720.40	J/mol×K	919.22	Calculated Property
Cp,gas	738.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002309; 0.0000531]	Pa×s	[588.28; 805.46]	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			-1.38240e+01
Coefficient B			3.20640e+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.			588.28
Temperature range, max.			805.46
η	0.0002309	Pa×s	588.28	Calculated Property
η	0.0001863	Pa×s	612.41	Calculated Property
η	0.0001527	Pa×s	636.54	Calculated Property
η	0.0001271	Pa×s	660.67	Calculated Property
η	0.0001071	Pa×s	684.80	Calculated Property
η	0.0000913	Pa×s	708.93	Calculated Property
η	0.0000787	Pa×s	733.06	Calculated Property
η	0.0000685	Pa×s	757.19	Calculated Property
η	0.0000601	Pa×s	781.33	Calculated Property
η	0.0000531	Pa×s	805.46	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, hexyl pentachlorophenyl ester.

Sources

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

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