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

InChI

InChI=1S/C22H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-16-28-19(26)14-15-20(27)29-22-18(24)13-12-17(23)21(22)25/h12-13H,2-11,14-16H2,1H3

InChI Key

ZISPEBQCKRKILO-UHFFFAOYSA-N

Formula

C22H31Cl3O4

SMILES

CCCCCCCCCCCCOC(=O)CCC(=O)Oc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

465.84

• 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).
• P_c : Critical Pressure (kPa).
• 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 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	[495.47; 1067.71]	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			8.13730e+01
Coefficient B			1.74722e+00
Coefficient C			-8.75080e-04
Coefficient D			1.14200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	495.47	J/mol×K	273.00	Calculated Property
Cp,gas	595.03	J/mol×K	353.78	Calculated Property
Cp,gas	684.76	J/mol×K	434.56	Calculated Property
Cp,gas	765.01	J/mol×K	515.33	Calculated Property
Cp,gas	836.14	J/mol×K	596.11	Calculated Property
Cp,gas	898.52	J/mol×K	676.89	Calculated Property
Cp,gas	952.51	J/mol×K	757.67	Calculated Property
Cp,gas	998.46	J/mol×K	838.44	Calculated Property
Cp,gas	1036.74	J/mol×K	919.22	Calculated Property
Cp,gas	1067.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002428; 0.0000359]	Pa×s	[576.10; 834.59]	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			-1.44941e+01
Coefficient B			3.55500e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			576.10
Temperature range, max.			834.59
η	0.0002428	Pa×s	576.10	Calculated Property
η	0.0001811	Pa×s	604.82	Calculated Property
η	0.0001387	Pa×s	633.54	Calculated Property
η	0.0001088	Pa×s	662.26	Calculated Property
η	0.0000870	Pa×s	690.98	Calculated Property
η	0.0000709	Pa×s	719.71	Calculated Property
η	0.0000586	Pa×s	748.43	Calculated Property
η	0.0000492	Pa×s	777.15	Calculated Property
η	0.0000418	Pa×s	805.87	Calculated Property
η	0.0000359	Pa×s	834.59	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dodecyl 2,3,6-trichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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