Chemical Properties of Fumaric acid, 2,5-dichlorophenyl dec-2-yl ester

InChI

InChI=1S/C20H26Cl2O4/c1-3-4-5-6-7-8-9-15(2)25-19(23)12-13-20(24)26-18-14-16(21)10-11-17(18)22/h10-15H,3-9H2,1-2H3/b13-12+

InChI Key

UNIWKHSLIJBAAZ-OUKQBFOZSA-N

Formula

C20H26Cl2O4

SMILES

CCCCCCCCC(C)OC(=O)C=CC(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

401.32

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.63	kJ/mol	Joback Calculated Property
logPoct/wat	6.137		Crippen Calculated Property
McVol	303.960	ml/mol	McGowan Calculated Property
Inp	[2690.00; 2690.00]
Inp	2690.00		NIST
Inp	2690.00		NIST
Tboil	629.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[422.77; 929.26]	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			4.01370e+01
Coefficient B			1.63584e+00
Coefficient C			-8.99920e-04
Coefficient D			1.53200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	422.77	J/mol×K	273.00	Calculated Property
Cp,gas	513.01	J/mol×K	353.78	Calculated Property
Cp,gas	593.63	J/mol×K	434.56	Calculated Property
Cp,gas	665.12	J/mol×K	515.33	Calculated Property
Cp,gas	727.95	J/mol×K	596.11	Calculated Property
Cp,gas	782.61	J/mol×K	676.89	Calculated Property
Cp,gas	829.59	J/mol×K	757.67	Calculated Property
Cp,gas	869.36	J/mol×K	838.44	Calculated Property
Cp,gas	902.43	J/mol×K	919.22	Calculated Property
Cp,gas	929.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004882; 0.0000440]	Pa×s	[491.04; 770.28]	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			-1.42652e+01
Coefficient B			3.26068e+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.			491.04
Temperature range, max.			770.28
η	0.0004882	Pa×s	491.04	Calculated Property
η	0.0003290	Pa×s	522.07	Calculated Property
η	0.0002317	Pa×s	553.09	Calculated Property
η	0.0001694	Pa×s	584.12	Calculated Property
η	0.0001279	Pa×s	615.15	Calculated Property
η	0.0000991	Pa×s	646.17	Calculated Property
η	0.0000787	Pa×s	677.20	Calculated Property
η	0.0000637	Pa×s	708.23	Calculated Property
η	0.0000525	Pa×s	739.25	Calculated Property
η	0.0000440	Pa×s	770.28	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,5-dichlorophenyl dec-2-yl 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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