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

InChI

InChI=1S/C13H10Cl4O4/c1-2-5-20-9(18)3-4-10(19)21-13-8(15)6-7(14)11(16)12(13)17/h3-4,6H,2,5H2,1H3/b4-3+

InChI Key

YZQJZHDNIAAPNN-ONEGZZNKSA-N

Formula

C13H10Cl4O4

SMILES

CCCOC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

372.03

• 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	[306.50; 578.04]	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			1.02562e+02
Coefficient B			8.59520e-01
Coefficient C			-4.22640e-04
Coefficient D			3.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.50	J/mol×K	273.00	Calculated Property
Cp,gas	355.45	J/mol×K	353.78	Calculated Property
Cp,gas	399.43	J/mol×K	434.56	Calculated Property
Cp,gas	438.54	J/mol×K	515.33	Calculated Property
Cp,gas	472.92	J/mol×K	596.11	Calculated Property
Cp,gas	502.69	J/mol×K	676.89	Calculated Property
Cp,gas	527.96	J/mol×K	757.67	Calculated Property
Cp,gas	548.86	J/mol×K	838.44	Calculated Property
Cp,gas	565.52	J/mol×K	919.22	Calculated Property
Cp,gas	578.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004359; 0.0000856]	Pa×s	[512.03; 728.73]	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			-1.32140e+01
Coefficient B			2.80386e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			512.03
Temperature range, max.			728.73
η	0.0004359	Pa×s	512.03	Calculated Property
η	0.0003409	Pa×s	536.11	Calculated Property
η	0.0002723	Pa×s	560.18	Calculated Property
η	0.0002215	Pa×s	584.26	Calculated Property
η	0.0001832	Pa×s	608.34	Calculated Property
η	0.0001537	Pa×s	632.42	Calculated Property
η	0.0001306	Pa×s	656.49	Calculated Property
η	0.0001123	Pa×s	680.57	Calculated Property
η	0.0000976	Pa×s	704.65	Calculated Property
η	0.0000856	Pa×s	728.73	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, propyl 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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