Chemical Properties of Fumaric acid, 2,6-dichlorophenyl 2-ethylhexyl ester

InChI

InChI=1S/C18H22Cl2O4/c1-3-5-7-13(4-2)12-23-16(21)10-11-17(22)24-18-14(19)8-6-9-15(18)20/h6,8-11,13H,3-5,7,12H2,1-2H3/b11-10+

InChI Key

IXVYZOIIOCRRTA-ZHACJKMWSA-N

Formula

C18H22Cl2O4

SMILES

CCCCC(CC)COC(=O)C=CC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

373.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfusH°	49.45	kJ/mol	Joback Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	5.215		Crippen Calculated Property
McVol	275.780	ml/mol	McGowan Calculated Property
Pc	1425.07	kPa	Joback Calculated Property
Inp	[2481.00; 2481.00]
Inp	2481.00		NIST
Inp	2481.00		NIST
Tboil	610.95	K	Relay (1.0) Calculated Property
Tfus	294.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[380.34; 826.08]	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			4.19550e+01
Coefficient B			1.44584e+00
Coefficient C			-7.91120e-04
Coefficient D			1.29400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.34	J/mol×K	273.00	Calculated Property
Cp,gas	460.18	J/mol×K	353.78	Calculated Property
Cp,gas	531.48	J/mol×K	434.56	Calculated Property
Cp,gas	594.66	J/mol×K	515.33	Calculated Property
Cp,gas	650.12	J/mol×K	596.11	Calculated Property
Cp,gas	698.29	J/mol×K	676.89	Calculated Property
Cp,gas	739.55	J/mol×K	757.67	Calculated Property
Cp,gas	774.33	J/mol×K	838.44	Calculated Property
Cp,gas	803.04	J/mol×K	919.22	Calculated Property
Cp,gas	826.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006225; 0.0000566]	Pa×s	[468.50; 738.50]	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			-1.39397e+01
Coefficient B			3.07236e+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.			468.50
Temperature range, max.			738.50
η	0.0006225	Pa×s	468.50	Calculated Property
η	0.0004195	Pa×s	498.50	Calculated Property
η	0.0002957	Pa×s	528.50	Calculated Property
η	0.0002164	Pa×s	558.50	Calculated Property
η	0.0001634	Pa×s	588.50	Calculated Property
η	0.0001269	Pa×s	618.50	Calculated Property
η	0.0001008	Pa×s	648.50	Calculated Property
η	0.0000818	Pa×s	678.50	Calculated Property
η	0.0000675	Pa×s	708.50	Calculated Property
η	0.0000566	Pa×s	738.50	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dichlorophenyl 2-ethylhexyl ester.

Sources

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

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