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

InChI

InChI=1S/C18H23Cl3O4/c1-3-4-5-6-7-12(2)24-16(22)8-9-17(23)25-18-14(20)10-13(19)11-15(18)21/h10-12H,3-9H2,1-2H3

InChI Key

AJZFQCVVLWZNAH-UHFFFAOYSA-N

Formula

C18H23Cl3O4

SMILES

CCCCCCC(C)OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

409.73

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

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[410.30; 861.89]	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			8.33270e+01
Coefficient B			1.37314e+00
Coefficient C			-6.60680e-04
Coefficient D			6.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	410.30	J/mol×K	273.00	Calculated Property
Cp,gas	489.35	J/mol×K	353.78	Calculated Property
Cp,gas	560.69	J/mol×K	434.56	Calculated Property
Cp,gas	624.54	J/mol×K	515.33	Calculated Property
Cp,gas	681.10	J/mol×K	596.11	Calculated Property
Cp,gas	730.58	J/mol×K	676.89	Calculated Property
Cp,gas	773.19	J/mol×K	757.67	Calculated Property
Cp,gas	809.14	J/mol×K	838.44	Calculated Property
Cp,gas	838.63	J/mol×K	919.22	Calculated Property
Cp,gas	861.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004404; 0.0000578]	Pa×s	[516.02; 765.51]	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			-1.39605e+01
Coefficient B			3.21618e+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.			516.02
Temperature range, max.			765.51
η	0.0004404	Pa×s	516.02	Calculated Property
η	0.0003205	Pa×s	543.74	Calculated Property
η	0.0002406	Pa×s	571.46	Calculated Property
η	0.0001854	Pa×s	599.18	Calculated Property
η	0.0001462	Pa×s	626.90	Calculated Property
η	0.0001177	Pa×s	654.63	Calculated Property
η	0.0000964	Pa×s	682.35	Calculated Property
η	0.0000802	Pa×s	710.07	Calculated Property
η	0.0000676	Pa×s	737.79	Calculated Property
η	0.0000578	Pa×s	765.51	Calculated Property

Similar Compounds

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