Chemical Properties of Succinic acid, 2,2-dichloroethyl 3,5-dichlorophenyl ester

InChI

InChI=1S/C12H10Cl4O4/c13-7-3-8(14)5-9(4-7)20-12(18)2-1-11(17)19-6-10(15)16/h3-5,10H,1-2,6H2

InChI Key

ZCAGRRAKZPDNCV-UHFFFAOYSA-N

Formula

C12H10Cl4O4

SMILES

O=C(CCC(=O)Oc1cc(Cl)cc(Cl)c1)OCC(Cl)Cl

Molecular Weight¹

360.02

• 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°	42.10	kJ/mol	Joback Calculated Property
logPoct/wat	4.026		Crippen Calculated Property
McVol	220.020	ml/mol	McGowan Calculated Property
Inp	[2370.00; 2370.00]
Inp	2370.00		NIST
Inp	2370.00		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	[293.87; 563.65]	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			8.73730e+01
Coefficient B			8.69400e-01
Coefficient C			-4.21720e-04
Coefficient D			2.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.87	J/mol×K	273.00	Calculated Property
Cp,gas	343.43	J/mol×K	353.78	Calculated Property
Cp,gas	387.89	J/mol×K	434.56	Calculated Property
Cp,gas	427.32	J/mol×K	515.33	Calculated Property
Cp,gas	461.83	J/mol×K	596.11	Calculated Property
Cp,gas	491.51	J/mol×K	676.89	Calculated Property
Cp,gas	516.44	J/mol×K	757.67	Calculated Property
Cp,gas	536.71	J/mol×K	838.44	Calculated Property
Cp,gas	552.42	J/mol×K	919.22	Calculated Property
Cp,gas	563.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008134; 0.0001026]	Pa×s	[465.80; 701.09]	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			-1.32838e+01
Coefficient B			2.87380e+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.			465.80
Temperature range, max.			701.09
η	0.0008134	Pa×s	465.80	Calculated Property
η	0.0005860	Pa×s	491.94	Calculated Property
η	0.0004364	Pa×s	518.09	Calculated Property
η	0.0003343	Pa×s	544.23	Calculated Property
η	0.0002625	Pa×s	570.37	Calculated Property
η	0.0002105	Pa×s	596.52	Calculated Property
η	0.0001719	Pa×s	622.66	Calculated Property
η	0.0001427	Pa×s	648.80	Calculated Property
η	0.0001202	Pa×s	674.95	Calculated Property
η	0.0001026	Pa×s	701.09	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 3,5-dichlorophenyl 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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