Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C18H16Cl2O5/c1-11-9-13(4-5-14(11)20)24-17(21)7-8-18(22)25-15-6-3-12(19)10-16(15)23-2/h3-6,9-10H,7-8H2,1-2H3

InChI Key

JEASZMFPGBJMMY-UHFFFAOYSA-N

Formula

C18H16Cl2O5

SMILES

COc1cc(Cl)ccc1OC(=O)CCC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

383.22

• 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).
• 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°	47.22	kJ/mol	Joback Calculated Property
logPoct/wat	4.602		Crippen Calculated Property
McVol	262.190	ml/mol	McGowan Calculated Property
Inp	[2923.00; 2923.00]
Inp	2923.00		NIST
Inp	2923.00		NIST
Tfus	362.08	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	[357.91; 750.01]	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			7.80120e+01
Coefficient B			1.15884e+00
Coefficient C			-4.90240e-04
Coefficient D			3.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	357.91	J/mol×K	273.00	Calculated Property
Cp,gas	426.78	J/mol×K	353.78	Calculated Property
Cp,gas	489.30	J/mol×K	434.56	Calculated Property
Cp,gas	545.47	J/mol×K	515.33	Calculated Property
Cp,gas	595.32	J/mol×K	596.11	Calculated Property
Cp,gas	638.85	J/mol×K	676.89	Calculated Property
Cp,gas	676.08	J/mol×K	757.67	Calculated Property
Cp,gas	707.01	J/mol×K	838.44	Calculated Property
Cp,gas	731.65	J/mol×K	919.22	Calculated Property
Cp,gas	750.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002634; 0.0000532]	Pa×s	[562.27; 791.03]	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			-1.37754e+01
Coefficient B			3.11129e+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.			562.27
Temperature range, max.			791.03
η	0.0002634	Pa×s	562.27	Calculated Property
η	0.0002073	Pa×s	587.69	Calculated Property
η	0.0001665	Pa×s	613.11	Calculated Property
η	0.0001360	Pa×s	638.52	Calculated Property
η	0.0001129	Pa×s	663.94	Calculated Property
η	0.0000950	Pa×s	689.36	Calculated Property
η	0.0000809	Pa×s	714.78	Calculated Property
η	0.0000696	Pa×s	740.19	Calculated Property
η	0.0000606	Pa×s	765.61	Calculated Property
η	0.0000532	Pa×s	791.03	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 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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