Chemical Properties of Succinic acid, 2,3,4,6-tetrachlorophenyl undecyl ester

InChI

InChI=1S/C21H28Cl4O4/c1-2-3-4-5-6-7-8-9-10-13-28-17(26)11-12-18(27)29-21-16(23)14-15(22)19(24)20(21)25/h14H,2-13H2,1H3

InChI Key

RGKQQTWASZZIFE-UHFFFAOYSA-N

Formula

C21H28Cl4O4

SMILES

CCCCCCCCCCCOC(=O)CCC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

486.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[490.21; 1021.35]	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			1.09472e+02
Coefficient B			1.59952e+00
Coefficient C			-7.74040e-04
Coefficient D			8.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.21	J/mol×K	273.00	Calculated Property
Cp,gas	582.29	J/mol×K	353.78	Calculated Property
Cp,gas	665.47	J/mol×K	434.56	Calculated Property
Cp,gas	740.02	J/mol×K	515.33	Calculated Property
Cp,gas	806.21	J/mol×K	596.11	Calculated Property
Cp,gas	864.32	J/mol×K	676.89	Calculated Property
Cp,gas	914.61	J/mol×K	757.67	Calculated Property
Cp,gas	957.36	J/mol×K	838.44	Calculated Property
Cp,gas	992.85	J/mol×K	919.22	Calculated Property
Cp,gas	1021.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001925; 0.0000355]	Pa×s	[607.27; 851.45]	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			-1.44523e+01
Coefficient B			3.58090e+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.			607.27
Temperature range, max.			851.45
η	0.0001925	Pa×s	607.27	Calculated Property
η	0.0001496	Pa×s	634.40	Calculated Property
η	0.0001187	Pa×s	661.53	Calculated Property
η	0.0000959	Pa×s	688.66	Calculated Property
η	0.0000787	Pa×s	715.79	Calculated Property
η	0.0000656	Pa×s	742.92	Calculated Property
η	0.0000553	Pa×s	770.05	Calculated Property
η	0.0000472	Pa×s	797.18	Calculated Property
η	0.0000407	Pa×s	824.32	Calculated Property
η	0.0000355	Pa×s	851.45	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3,4,6-tetrachlorophenyl undecyl 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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