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

InChI

InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-7-8-9-10-15-27-18(25)13-14-19(26)28-21-17(23)12-11-16(22)20(21)24/h11-12H,2-10,13-15H2,1H3

InChI Key

USUKNZCGCFUFIM-UHFFFAOYSA-N

Formula

C21H29Cl3O4

SMILES

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

Molecular Weight¹

451.81

• 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	[474.26; 1016.12]	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			8.22820e+01
Coefficient B			1.65222e+00
Coefficient C			-8.20680e-04
Coefficient D			1.02300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	474.26	J/mol×K	273.00	Calculated Property
Cp,gas	568.62	J/mol×K	353.78	Calculated Property
Cp,gas	653.68	J/mol×K	434.56	Calculated Property
Cp,gas	729.78	J/mol×K	515.33	Calculated Property
Cp,gas	797.23	J/mol×K	596.11	Calculated Property
Cp,gas	856.36	J/mol×K	676.89	Calculated Property
Cp,gas	907.49	J/mol×K	757.67	Calculated Property
Cp,gas	950.94	J/mol×K	838.44	Calculated Property
Cp,gas	987.05	J/mol×K	919.22	Calculated Property
Cp,gas	1016.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002751; 0.0000417]	Pa×s	[564.83; 816.14]	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			-1.43257e+01
Coefficient B			3.46084e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			564.83
Temperature range, max.			816.14
η	0.0002751	Pa×s	564.83	Calculated Property
η	0.0002061	Pa×s	592.75	Calculated Property
η	0.0001585	Pa×s	620.68	Calculated Property
η	0.0001247	Pa×s	648.60	Calculated Property
η	0.0001000	Pa×s	676.52	Calculated Property
η	0.0000817	Pa×s	704.45	Calculated Property
η	0.0000677	Pa×s	732.37	Calculated Property
η	0.0000569	Pa×s	760.29	Calculated Property
η	0.0000484	Pa×s	788.21	Calculated Property
η	0.0000417	Pa×s	816.14	Calculated Property

Similar Compounds

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

Sources

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

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