Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C14H14Cl2O6/c1-19-9-4-3-5-10(20-2)14(9)22-13(18)7-6-12(17)21-8-11(15)16/h3-7,11H,8H2,1-2H3/b7-6+

InChI Key

HLTRWFDYVVWERS-VOTSOKGWSA-N

Formula

C14H14Cl2O6

SMILES

COc1cccc(OC)c1OC(=O)C=CC(=O)OCC(Cl)Cl

Molecular Weight¹

349.16

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.47	kJ/mol	Joback Calculated Property
logPoct/wat	2.512		Crippen Calculated Property
McVol	231.160	ml/mol	McGowan Calculated Property
Inp	[2389.00; 2389.00]
Inp	2389.00		NIST
Inp	2389.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[326.29; 656.71]	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			9.65910e+01
Coefficient B			9.39440e-01
Coefficient C			-3.51520e-04
Coefficient D			-2.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.29	J/mol×K	273.00	Calculated Property
Cp,gas	383.72	J/mol×K	353.78	Calculated Property
Cp,gas	436.17	J/mol×K	434.56	Calculated Property
Cp,gas	483.56	J/mol×K	515.33	Calculated Property
Cp,gas	525.80	J/mol×K	596.11	Calculated Property
Cp,gas	562.81	J/mol×K	676.89	Calculated Property
Cp,gas	594.49	J/mol×K	757.67	Calculated Property
Cp,gas	620.76	J/mol×K	838.44	Calculated Property
Cp,gas	641.53	J/mol×K	919.22	Calculated Property
Cp,gas	656.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004533; 0.0000535]	Pa×s	[467.88; 709.08]	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			-1.39825e+01
Coefficient B			2.93990e+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.			467.88
Temperature range, max.			709.08
η	0.0004533	Pa×s	467.88	Calculated Property
η	0.0003225	Pa×s	494.68	Calculated Property
η	0.0002376	Pa×s	521.48	Calculated Property
η	0.0001804	Pa×s	548.28	Calculated Property
η	0.0001405	Pa×s	575.08	Calculated Property
η	0.0001119	Pa×s	601.88	Calculated Property
η	0.0000909	Pa×s	628.68	Calculated Property
η	0.0000750	Pa×s	655.48	Calculated Property
η	0.0000629	Pa×s	682.28	Calculated Property
η	0.0000535	Pa×s	709.08	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 2,2-dichloroethyl 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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