Chemical Properties of Fumaric acid, 3,5-dichlorophenyl heptyl ester

InChI

InChI=1S/C17H20Cl2O4/c1-2-3-4-5-6-9-22-16(20)7-8-17(21)23-15-11-13(18)10-14(19)12-15/h7-8,10-12H,2-6,9H2,1H3/b8-7+

InChI Key

PKNSQHHAFHSLMA-BQYQJAHWSA-N

Formula

C17H20Cl2O4

SMILES

CCCCCCCOC(=O)C=CC(=O)Oc1cc(Cl)cc(Cl)c1

Molecular Weight¹

359.24

• 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	[359.44; 773.95]	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			4.45460e+01
Coefficient B			1.34492e+00
Coefficient C			-7.33520e-04
Coefficient D			1.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.44	J/mol×K	273.00	Calculated Property
Cp,gas	433.77	J/mol×K	353.78	Calculated Property
Cp,gas	500.15	J/mol×K	434.56	Calculated Property
Cp,gas	558.98	J/mol×K	515.33	Calculated Property
Cp,gas	610.61	J/mol×K	596.11	Calculated Property
Cp,gas	655.42	J/mol×K	676.89	Calculated Property
Cp,gas	693.79	J/mol×K	757.67	Calculated Property
Cp,gas	726.08	J/mol×K	838.44	Calculated Property
Cp,gas	752.68	J/mol×K	919.22	Calculated Property
Cp,gas	773.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006001; 0.0000697]	Pa×s	[472.23; 721.75]	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			-1.36450e+01
Coefficient B			2.94038e+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.			472.23
Temperature range, max.			721.75
η	0.0006001	Pa×s	472.23	Calculated Property
η	0.0004249	Pa×s	499.95	Calculated Property
η	0.0003119	Pa×s	527.68	Calculated Property
η	0.0002362	Pa×s	555.40	Calculated Property
η	0.0001836	Pa×s	583.13	Calculated Property
η	0.0001461	Pa×s	610.85	Calculated Property
η	0.0001185	Pa×s	638.58	Calculated Property
η	0.0000979	Pa×s	666.30	Calculated Property
η	0.0000820	Pa×s	694.03	Calculated Property
η	0.0000697	Pa×s	721.75	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dichlorophenyl heptyl ester.

Sources

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

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