Chemical Properties of Succinic acid, di(2-methoxy-4-chlorobenzyl) ester

InChI

InChI=1S/C20H20Cl2O6/c1-25-17-9-15(21)5-3-13(17)11-27-19(23)7-8-20(24)28-12-14-4-6-16(22)10-18(14)26-2/h3-6,9-10H,7-8,11-12H2,1-2H3

InChI Key

TYGYKEIGXQMKCZ-UHFFFAOYSA-N

Formula

C20H20Cl2O6

SMILES

COc1cc(Cl)ccc1COC(=O)CCC(=O)OCc1ccc(Cl)cc1OC

Molecular Weight¹

427.27

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	53.59	kJ/mol	Joback Calculated Property
logPoct/wat	4.577		Crippen Calculated Property
McVol	296.240	ml/mol	McGowan Calculated Property
Inp	[3103.00; 3103.00]
Inp	3103.00		NIST
Inp	3103.00		NIST
Tfus	373.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[415.74; 871.69]	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			1.01694e+02
Coefficient B			1.28564e+00
Coefficient C			-4.88040e-04
Coefficient D			-2.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	415.74	J/mol×K	273.00	Calculated Property
Cp,gas	494.22	J/mol×K	353.78	Calculated Property
Cp,gas	565.95	J/mol×K	434.56	Calculated Property
Cp,gas	630.84	J/mol×K	515.33	Calculated Property
Cp,gas	688.81	J/mol×K	596.11	Calculated Property
Cp,gas	739.76	J/mol×K	676.89	Calculated Property
Cp,gas	783.61	J/mol×K	757.67	Calculated Property
Cp,gas	820.28	J/mol×K	838.44	Calculated Property
Cp,gas	849.67	J/mol×K	919.22	Calculated Property
Cp,gas	871.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001487; 0.0000316]	Pa×s	[607.04; 837.24]	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			-1.44506e+01
Coefficient B			3.42170e+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.			607.04
Temperature range, max.			837.24
η	0.0001487	Pa×s	607.04	Calculated Property
η	0.0001184	Pa×s	632.62	Calculated Property
η	0.0000959	Pa×s	658.19	Calculated Property
η	0.0000790	Pa×s	683.77	Calculated Property
η	0.0000659	Pa×s	709.35	Calculated Property
η	0.0000557	Pa×s	734.93	Calculated Property
η	0.0000477	Pa×s	760.50	Calculated Property
η	0.0000412	Pa×s	786.08	Calculated Property
η	0.0000359	Pa×s	811.66	Calculated Property
η	0.0000316	Pa×s	837.24	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2-methoxy-4-chlorobenzyl) 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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