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

InChI

InChI=1S/C17H18Cl4O4/c1-2-3-4-5-6-9-24-13(22)7-8-14(23)25-17-12(19)10-11(18)15(20)16(17)21/h7-8,10H,2-6,9H2,1H3

InChI Key

GOGVZHKCOHWPGO-BQYQJAHWSA-N

Formula

C17H18Cl4O4

SMILES

CCCCCCCOC(=O)/C=C/C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

428.14

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[391.35; 784.41]	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			9.89260e+01
Coefficient B			1.23952e+00
Coefficient C			-6.40240e-04
Coefficient D			8.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.35	J/mol×K	273.00	Calculated Property
Cp,gas	461.13	J/mol×K	353.78	Calculated Property
Cp,gas	523.74	J/mol×K	434.56	Calculated Property
Cp,gas	579.46	J/mol×K	515.33	Calculated Property
Cp,gas	628.57	J/mol×K	596.11	Calculated Property
Cp,gas	671.33	J/mol×K	676.89	Calculated Property
Cp,gas	708.03	J/mol×K	757.67	Calculated Property
Cp,gas	738.92	J/mol×K	838.44	Calculated Property
Cp,gas	764.29	J/mol×K	919.22	Calculated Property
Cp,gas	784.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002857; 0.0000536]	Pa×s	[557.11; 787.94]	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			-1.38696e+01
Coefficient B			3.18050e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			557.11
Temperature range, max.			787.94
η	0.0002857	Pa×s	557.11	Calculated Property
η	0.0002222	Pa×s	582.76	Calculated Property
η	0.0001765	Pa×s	608.41	Calculated Property
η	0.0001429	Pa×s	634.05	Calculated Property
η	0.0001176	Pa×s	659.70	Calculated Property
η	0.0000982	Pa×s	685.35	Calculated Property
η	0.0000830	Pa×s	711.00	Calculated Property
η	0.0000711	Pa×s	736.65	Calculated Property
η	0.0000615	Pa×s	762.29	Calculated Property
η	0.0000536	Pa×s	787.94	Calculated Property

Similar Compounds

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

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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