Chemical Properties of Fumaric acid, 2-methoxyphenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C13H12Cl2O5/c1-18-9-4-2-3-5-10(9)20-13(17)7-6-12(16)19-8-11(14)15/h2-7,11H,8H2,1H3/b7-6-

InChI Key

ZVLDYCTWCDTEIN-SREVYHEPSA-N

Formula

C13H12Cl2O5

SMILES

COc1ccccc1OC(=O)/C=C/C(=O)OCC(Cl)Cl

Molecular Weight¹

319.14

• 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°	38.08	kJ/mol	Joback Calculated Property
logPoct/wat	2.504		Crippen Calculated Property
McVol	211.200	ml/mol	McGowan Calculated Property
Inp	[2184.00; 2184.00]
Inp	2184.00		NIST
Inp	2184.00		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	[287.13; 589.66]	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			5.77010e+01
Coefficient B			9.67120e-01
Coefficient C			-4.75160e-04
Coefficient D			4.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.13	J/mol×K	273.00	Calculated Property
Cp,gas	342.15	J/mol×K	353.78	Calculated Property
Cp,gas	391.52	J/mol×K	434.56	Calculated Property
Cp,gas	435.38	J/mol×K	515.33	Calculated Property
Cp,gas	473.84	J/mol×K	596.11	Calculated Property
Cp,gas	507.03	J/mol×K	676.89	Calculated Property
Cp,gas	535.08	J/mol×K	757.67	Calculated Property
Cp,gas	558.12	J/mol×K	838.44	Calculated Property
Cp,gas	576.27	J/mol×K	919.22	Calculated Property
Cp,gas	589.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009086; 0.0000763]	Pa×s	[421.86; 676.64]	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			-1.35814e+01
Coefficient B			2.77491e+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.			421.86
Temperature range, max.			676.64
η	0.0009086	Pa×s	421.86	Calculated Property
η	0.0006008	Pa×s	450.17	Calculated Property
η	0.0004172	Pa×s	478.48	Calculated Property
η	0.0003018	Pa×s	506.79	Calculated Property
η	0.0002259	Pa×s	535.09	Calculated Property
η	0.0001741	Pa×s	563.40	Calculated Property
η	0.0001375	Pa×s	591.71	Calculated Property
η	0.0001110	Pa×s	620.02	Calculated Property
η	0.0000913	Pa×s	648.33	Calculated Property
η	0.0000763	Pa×s	676.64	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methoxyphenyl 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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