Chemical Properties of o-Toluic acid, 3-tetradecyl ester

InChI

InChI=1S/C22H36O2/c1-4-6-7-8-9-10-11-12-13-17-20(5-2)24-22(23)21-18-15-14-16-19(21)3/h14-16,18,20H,4-13,17H2,1-3H3

InChI Key

RHUMEMFDCDUIAY-UHFFFAOYSA-N

Formula

C22H36O2

SMILES

CCCCCCCCCCCC(CC)OC(=O)c1ccccc1C

Molecular Weight¹

332.52

Other Names

• o-Toluylic acid, 3-tetradecyl ester

• 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_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 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	[433.50; 1041.41]	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			-1.29890e+01
Coefficient B			1.90656e+00
Coefficient C			-1.04576e-03
Coefficient D			1.93600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.50	J/mol×K	273.00	Calculated Property
Cp,gas	539.20	J/mol×K	353.78	Calculated Property
Cp,gas	633.92	J/mol×K	434.56	Calculated Property
Cp,gas	718.30	J/mol×K	515.33	Calculated Property
Cp,gas	792.93	J/mol×K	596.11	Calculated Property
Cp,gas	858.44	J/mol×K	676.89	Calculated Property
Cp,gas	915.43	J/mol×K	757.67	Calculated Property
Cp,gas	964.51	J/mol×K	838.44	Calculated Property
Cp,gas	1006.30	J/mol×K	919.22	Calculated Property
Cp,gas	1041.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013689; 0.0000787]	Pa×s	[403.97; 688.63]	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			-1.35043e+01
Coefficient B			2.79166e+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.			403.97
Temperature range, max.			688.63
η	0.0013689	Pa×s	403.97	Calculated Property
η	0.0008288	Pa×s	435.60	Calculated Property
η	0.0005371	Pa×s	467.23	Calculated Property
η	0.0003677	Pa×s	498.86	Calculated Property
η	0.0002634	Pa×s	530.48	Calculated Property
η	0.0001959	Pa×s	562.11	Calculated Property
η	0.0001504	Pa×s	593.74	Calculated Property
η	0.0001185	Pa×s	625.37	Calculated Property
η	0.0000956	Pa×s	657.00	Calculated Property
η	0.0000787	Pa×s	688.63	Calculated Property

Similar Compounds

Find more compounds similar to o-Toluic acid, 3-tetradecyl ester.

Sources

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

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