Chemical Properties of 2-Chlorobenzoic acid, 2-pentadecyl ester

InChI

InChI=1S/C22H35ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19(2)25-22(24)20-17-14-15-18-21(20)23/h14-15,17-19H,3-13,16H2,1-2H3

InChI Key

ACBTZZPWYCGTSU-UHFFFAOYSA-N

Formula

C22H35ClO2

SMILES

CCCCCCCCCCCCCC(C)OC(=O)c1ccccc1Cl

Molecular Weight¹

366.97

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[446.91; 1049.68]	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			-9.80000e-02
Coefficient B			1.91334e+00
Coefficient C			-1.06616e-03
Coefficient D			2.02600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	446.91	J/mol×K	273.00	Calculated Property
Cp,gas	552.33	J/mol×K	353.78	Calculated Property
Cp,gas	646.65	J/mol×K	434.56	Calculated Property
Cp,gas	730.50	J/mol×K	515.33	Calculated Property
Cp,gas	804.52	J/mol×K	596.11	Calculated Property
Cp,gas	869.36	J/mol×K	676.89	Calculated Property
Cp,gas	925.66	J/mol×K	757.67	Calculated Property
Cp,gas	974.05	J/mol×K	838.44	Calculated Property
Cp,gas	1015.18	J/mol×K	919.22	Calculated Property
Cp,gas	1049.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010376; 0.0000694]	Pa×s	[433.89; 718.46]	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			-1.36997e+01
Coefficient B			2.96298e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			433.89
Temperature range, max.			718.46
η	0.0010376	Pa×s	433.89	Calculated Property
η	0.0006525	Pa×s	465.51	Calculated Property
η	0.0004353	Pa×s	497.13	Calculated Property
η	0.0003048	Pa×s	528.75	Calculated Property
η	0.0002222	Pa×s	560.37	Calculated Property
η	0.0001675	Pa×s	591.99	Calculated Property
η	0.0001300	Pa×s	623.60	Calculated Property
η	0.0001033	Pa×s	655.22	Calculated Property
η	0.0000839	Pa×s	686.84	Calculated Property
η	0.0000694	Pa×s	718.46	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chlorobenzoic acid, 2-pentadecyl ester.

Sources

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

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