Chemical Properties of Sebacic acid, 3-chlorophenyl ethyl ester

InChI

InChI=1S/C18H25ClO4/c1-2-22-17(20)12-7-5-3-4-6-8-13-18(21)23-16-11-9-10-15(19)14-16/h9-11,14H,2-8,12-13H2,1H3

InChI Key

KANMEALMKWOBBV-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

CCOC(=O)CCCCCCCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

340.84

• 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).
• 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).
• 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 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	[378.70; 850.89]	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			3.06290e+01
Coefficient B			1.47262e+00
Coefficient C			-7.50760e-04
Coefficient D			9.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.70	J/mol×K	273.00	Calculated Property
Cp,gas	462.00	J/mol×K	353.78	Calculated Property
Cp,gas	536.87	J/mol×K	434.56	Calculated Property
Cp,gas	603.61	J/mol×K	515.33	Calculated Property
Cp,gas	662.54	J/mol×K	596.11	Calculated Property
Cp,gas	713.96	J/mol×K	676.89	Calculated Property
Cp,gas	758.20	J/mol×K	757.67	Calculated Property
Cp,gas	795.56	J/mol×K	838.44	Calculated Property
Cp,gas	826.35	J/mol×K	919.22	Calculated Property
Cp,gas	850.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008897; 0.0000829]	Pa×s	[446.14; 697.48]	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			-1.36106e+01
Coefficient B			2.93824e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			446.14
Temperature range, max.			697.48
η	0.0008897	Pa×s	446.14	Calculated Property
η	0.0006036	Pa×s	474.07	Calculated Property
η	0.0004276	Pa×s	501.99	Calculated Property
η	0.0003141	Pa×s	529.92	Calculated Property
η	0.0002380	Pa×s	557.84	Calculated Property
η	0.0001851	Pa×s	585.77	Calculated Property
η	0.0001473	Pa×s	613.70	Calculated Property
η	0.0001196	Pa×s	641.62	Calculated Property
η	0.0000988	Pa×s	669.55	Calculated Property
η	0.0000829	Pa×s	697.48	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-chlorophenyl ethyl ester.

Sources

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

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