Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 3-chlorophenyl ester

InChI

InChI=1S/C16H10Cl4O4/c17-9-2-1-3-11(6-9)23-14(21)4-5-15(22)24-16-12(19)7-10(18)8-13(16)20/h1-3,6-8H,4-5H2

InChI Key

NEOQALZFCRJBJW-UHFFFAOYSA-N

Formula

C16H10Cl4O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1cccc(Cl)c1

Molecular Weight¹

408.06

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.25	kJ/mol	Joback Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-6.63		Relay (1.0) Calculated Property
logPoct/wat	5.591		Crippen Calculated Property
McVol	252.620	ml/mol	McGowan Calculated Property
Inp	[2871.00; 2871.00]
Inp	2871.00		NIST
Inp	2871.00		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 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	[326.89; 644.87]	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			8.01120e+01
Coefficient B			1.04560e+00
Coefficient C			-5.33240e-04
Coefficient D			5.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.89	J/mol×K	273.00	Calculated Property
Cp,gas	385.60	J/mol×K	353.78	Calculated Property
Cp,gas	438.09	J/mol×K	434.56	Calculated Property
Cp,gas	484.50	J/mol×K	515.33	Calculated Property
Cp,gas	525.02	J/mol×K	596.11	Calculated Property
Cp,gas	559.80	J/mol×K	676.89	Calculated Property
Cp,gas	589.01	J/mol×K	757.67	Calculated Property
Cp,gas	612.81	J/mol×K	838.44	Calculated Property
Cp,gas	631.38	J/mol×K	919.22	Calculated Property
Cp,gas	644.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003122; 0.0000671]	Pa×s	[577.34; 804.66]	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			-1.35166e+01
Coefficient B			3.14352e+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.			577.34
Temperature range, max.			804.66
η	0.0003122	Pa×s	577.34	Calculated Property
η	0.0002485	Pa×s	602.60	Calculated Property
η	0.0002015	Pa×s	627.86	Calculated Property
η	0.0001660	Pa×s	653.11	Calculated Property
η	0.0001388	Pa×s	678.37	Calculated Property
η	0.0001175	Pa×s	703.63	Calculated Property
η	0.0001007	Pa×s	728.89	Calculated Property
η	0.0000871	Pa×s	754.14	Calculated Property
η	0.0000761	Pa×s	779.40	Calculated Property
η	0.0000671	Pa×s	804.66	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 3-chlorophenyl 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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