Chemical Properties of Succinic acid, 2,3-dichlorophenyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C12H9Cl5O4/c13-7-2-1-3-8(11(7)14)21-10(19)5-4-9(18)20-6-12(15,16)17/h1-3H,4-6H2

InChI Key

LUBQMYKLFGLTTI-UHFFFAOYSA-N

Formula

C12H9Cl5O4

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1Cl)OCC(Cl)(Cl)Cl

Molecular Weight¹

394.46

• 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°	42.41	kJ/mol	Joback Calculated Property
logPoct/wat	4.592		Crippen Calculated Property
McVol	232.260	ml/mol	McGowan Calculated Property
Inp	[2481.00; 2481.00]
Inp	2481.00		NIST
Inp	2481.00		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	[306.13; 572.85]	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			7.74730e+01
Coefficient B			9.96100e-01
Coefficient C			-6.10720e-04
Coefficient D			1.10000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.13	J/mol×K	273.00	Calculated Property
Cp,gas	358.30	J/mol×K	353.78	Calculated Property
Cp,gas	404.03	J/mol×K	434.56	Calculated Property
Cp,gas	443.66	J/mol×K	515.33	Calculated Property
Cp,gas	477.54	J/mol×K	596.11	Calculated Property
Cp,gas	506.02	J/mol×K	676.89	Calculated Property
Cp,gas	529.44	J/mol×K	757.67	Calculated Property
Cp,gas	548.15	J/mol×K	838.44	Calculated Property
Cp,gas	562.51	J/mol×K	919.22	Calculated Property
Cp,gas	572.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005224; 0.0000787]	Pa×s	[513.14; 732.06]	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			-1.38865e+01
Coefficient B			3.24784e+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.			513.14
Temperature range, max.			732.06
η	0.0005224	Pa×s	513.14	Calculated Property
η	0.0003923	Pa×s	537.46	Calculated Property
η	0.0003020	Pa×s	561.79	Calculated Property
η	0.0002375	Pa×s	586.11	Calculated Property
η	0.0001905	Pa×s	610.44	Calculated Property
η	0.0001553	Pa×s	634.76	Calculated Property
η	0.0001286	Pa×s	659.09	Calculated Property
η	0.0001079	Pa×s	683.41	Calculated Property
η	0.0000917	Pa×s	707.73	Calculated Property
η	0.0000787	Pa×s	732.06	Calculated Property

Similar Compounds

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