Chemical Properties of o-Toluic acid, octadecyl ester

InChI

InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-26(27)25-22-19-18-21-24(25)2/h18-19,21-22H,3-17,20,23H2,1-2H3

InChI Key

DDBNDPFMAYKYRG-UHFFFAOYSA-N

Formula

C26H44O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C

Molecular Weight¹

388.63

Other Names

• o-Toluylic acid, octadecyl ester

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.67; 1247.24]	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			-1.49430e+01
Coefficient B			2.28064e+00
Coefficient C			-1.26016e-03
Coefficient D			2.41700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	518.67	J/mol×K	273.00	Calculated Property
Cp,gas	644.88	J/mol×K	353.78	Calculated Property
Cp,gas	757.99	J/mol×K	434.56	Calculated Property
Cp,gas	858.77	J/mol×K	515.33	Calculated Property
Cp,gas	947.97	J/mol×K	596.11	Calculated Property
Cp,gas	1026.38	J/mol×K	676.89	Calculated Property
Cp,gas	1094.74	J/mol×K	757.67	Calculated Property
Cp,gas	1153.83	J/mol×K	838.44	Calculated Property
Cp,gas	1204.41	J/mol×K	919.22	Calculated Property
Cp,gas	1247.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007000; 0.0000511]	Pa×s	[464.05; 758.41]	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			-1.40104e+01
Coefficient B			3.13048e+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.			464.05
Temperature range, max.			758.41
η	0.0007000	Pa×s	464.05	Calculated Property
η	0.0004490	Pa×s	496.76	Calculated Property
η	0.0003042	Pa×s	529.46	Calculated Property
η	0.0002157	Pa×s	562.17	Calculated Property
η	0.0001588	Pa×s	594.87	Calculated Property
η	0.0001207	Pa×s	627.58	Calculated Property
η	0.0000943	Pa×s	660.29	Calculated Property
η	0.0000754	Pa×s	692.99	Calculated Property
η	0.0000615	Pa×s	725.70	Calculated Property
η	0.0000511	Pa×s	758.41	Calculated Property

Similar Compounds

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

Sources

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

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