Chemical Properties of Fumaric acid, hexyl 2,3,4,5-tetrachlorophenyl ester

InChI

InChI=1S/C16H16Cl4O4/c1-2-3-4-5-8-23-12(21)6-7-13(22)24-11-9-10(17)14(18)16(20)15(11)19/h6-7,9H,2-5,8H2,1H3/b7-6+

InChI Key

DRNXHSLSDLPUCA-VOTSOKGWSA-N

Formula

C16H16Cl4O4

SMILES

CCCCCCOC(=O)/C=C/C(=O)Oc1cc(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

414.11

• 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_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, 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	[370.14; 732.82]	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			9.98350e+01
Coefficient B			1.14452e+00
Coefficient C			-5.85840e-04
Coefficient D			7.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.14	J/mol×K	273.00	Calculated Property
Cp,gas	434.71	J/mol×K	353.78	Calculated Property
Cp,gas	492.66	J/mol×K	434.56	Calculated Property
Cp,gas	544.23	J/mol×K	515.33	Calculated Property
Cp,gas	589.66	J/mol×K	596.11	Calculated Property
Cp,gas	629.17	J/mol×K	676.89	Calculated Property
Cp,gas	663.01	J/mol×K	757.67	Calculated Property
Cp,gas	691.41	J/mol×K	838.44	Calculated Property
Cp,gas	714.60	J/mol×K	919.22	Calculated Property
Cp,gas	732.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003192; 0.0000608]	Pa×s	[545.84; 772.42]	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			-1.37039e+01
Coefficient B			3.08634e+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.			545.84
Temperature range, max.			772.42
η	0.0003192	Pa×s	545.84	Calculated Property
η	0.0002488	Pa×s	571.02	Calculated Property
η	0.0001980	Pa×s	596.19	Calculated Property
η	0.0001606	Pa×s	621.37	Calculated Property
η	0.0001323	Pa×s	646.54	Calculated Property
η	0.0001106	Pa×s	671.72	Calculated Property
η	0.0000937	Pa×s	696.89	Calculated Property
η	0.0000803	Pa×s	722.07	Calculated Property
η	0.0000695	Pa×s	747.24	Calculated Property
η	0.0000608	Pa×s	772.42	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, hexyl 2,3,4,5-tetrachlorophenyl ester.

Sources

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

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