Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C12H9Cl5O4/c13-6-3-7(14)12(8(15)4-6)21-11(19)2-1-10(18)20-5-9(16)17/h3-4,9H,1-2,5H2

InChI Key

HXCWOHWTKOYSSS-UHFFFAOYSA-N

Formula

C12H9Cl5O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCC(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°	45.91	kJ/mol	Joback Calculated Property
logPoct/wat	4.679		Crippen Calculated Property
McVol	232.260	ml/mol	McGowan Calculated Property
Inp	[2495.00; 2495.00]
Inp	2495.00		NIST
Inp	2495.00		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	[309.83; 568.88]	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			1.14563e+02
Coefficient B			8.16700e-01
Coefficient C			-3.75080e-04
Coefficient D			1.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.83	J/mol×K	273.00	Calculated Property
Cp,gas	357.11	J/mol×K	353.78	Calculated Property
Cp,gas	399.68	J/mol×K	434.56	Calculated Property
Cp,gas	437.56	J/mol×K	515.33	Calculated Property
Cp,gas	470.81	J/mol×K	596.11	Calculated Property
Cp,gas	499.46	J/mol×K	676.89	Calculated Property
Cp,gas	523.56	J/mol×K	757.67	Calculated Property
Cp,gas	543.13	J/mol×K	838.44	Calculated Property
Cp,gas	558.22	J/mol×K	919.22	Calculated Property
Cp,gas	568.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005521; 0.0000906]	Pa×s	[508.24; 733.25]	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			-1.33925e+01
Coefficient B			2.99386e+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.			508.24
Temperature range, max.			733.25
η	0.0005521	Pa×s	508.24	Calculated Property
η	0.0004188	Pa×s	533.24	Calculated Property
η	0.0003257	Pa×s	558.24	Calculated Property
η	0.0002588	Pa×s	583.24	Calculated Property
η	0.0002096	Pa×s	608.24	Calculated Property
η	0.0001726	Pa×s	633.24	Calculated Property
η	0.0001442	Pa×s	658.24	Calculated Property
η	0.0001221	Pa×s	683.24	Calculated Property
η	0.0001046	Pa×s	708.24	Calculated Property
η	0.0000906	Pa×s	733.25	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2,2-dichloroethyl 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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