Chemical Properties of Succinic acid, di(4-chloro-2-methoxyphenyl) ester

InChI

InChI=1S/C18H16Cl2O6/c1-23-15-9-11(19)3-5-13(15)25-17(21)7-8-18(22)26-14-6-4-12(20)10-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3

InChI Key

ZSCOVYXMQHWNEH-UHFFFAOYSA-N

Formula

C18H16Cl2O6

SMILES

COc1cc(Cl)ccc1OC(=O)CCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

399.22

• 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).
• 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°	48.41	kJ/mol	Joback Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-5.17		Relay (1.0) Calculated Property
logPoct/wat	4.302		Crippen Calculated Property
McVol	268.060	ml/mol	McGowan Calculated Property
Inp	[3021.00; 3021.00]
Inp	3021.00		NIST
Inp	3021.00		NIST
Tboil	670.79	K	Relay (1.0) Calculated Property
Tfus	398.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[373.31; 768.51]	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			1.03512e+02
Coefficient B			1.09564e+00
Coefficient C			-3.79240e-04
Coefficient D			-5.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.31	J/mol×K	273.00	Calculated Property
Cp,gas	441.38	J/mol×K	353.78	Calculated Property
Cp,gas	503.80	J/mol×K	434.56	Calculated Property
Cp,gas	560.38	J/mol×K	515.33	Calculated Property
Cp,gas	610.98	J/mol×K	596.11	Calculated Property
Cp,gas	655.44	J/mol×K	676.89	Calculated Property
Cp,gas	693.58	J/mol×K	757.67	Calculated Property
Cp,gas	725.25	J/mol×K	838.44	Calculated Property
Cp,gas	750.28	J/mol×K	919.22	Calculated Property
Cp,gas	768.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001862; 0.0000407]	Pa×s	[584.50; 806.03]	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			-1.41205e+01
Coefficient B			3.23338e+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.			584.50
Temperature range, max.			806.03
η	0.0001862	Pa×s	584.50	Calculated Property
η	0.0001489	Pa×s	609.11	Calculated Property
η	0.0001212	Pa×s	633.73	Calculated Property
η	0.0001001	Pa×s	658.34	Calculated Property
η	0.0000839	Pa×s	682.96	Calculated Property
η	0.0000711	Pa×s	707.57	Calculated Property
η	0.0000610	Pa×s	732.19	Calculated Property
η	0.0000529	Pa×s	756.80	Calculated Property
η	0.0000462	Pa×s	781.42	Calculated Property
η	0.0000407	Pa×s	806.03	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(4-chloro-2-methoxyphenyl) 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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