Chemical Properties of o-Toluic acid, hexyl ester

InChI

InChI=1S/C14H20O2/c1-3-4-5-8-11-16-14(15)13-10-7-6-9-12(13)2/h6-7,9-10H,3-5,8,11H2,1-2H3

InChI Key

SAUIRIVPBOUTOZ-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CCCCCCOC(=O)c1ccccc1C

Molecular Weight¹

220.31

Other Names

• o-Toluylic acid, hexyl 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	[264.11; 628.15]	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			-4.03500e+00
Coefficient B			1.14064e+00
Coefficient C			-6.07360e-04
Coefficient D			9.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.11	J/mol×K	273.00	Calculated Property
Cp,gas	327.86	J/mol×K	353.78	Calculated Property
Cp,gas	385.06	J/mol×K	434.56	Calculated Property
Cp,gas	436.01	J/mol×K	515.33	Calculated Property
Cp,gas	481.04	J/mol×K	596.11	Calculated Property
Cp,gas	520.44	J/mol×K	676.89	Calculated Property
Cp,gas	554.55	J/mol×K	757.67	Calculated Property
Cp,gas	583.65	J/mol×K	838.44	Calculated Property
Cp,gas	608.08	J/mol×K	919.22	Calculated Property
Cp,gas	628.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022301; 0.0001742]	Pa×s	[328.81; 566.01]	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			-1.21900e+01
Coefficient B			2.00056e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			328.81
Temperature range, max.			566.01
η	0.0022301	Pa×s	328.81	Calculated Property
η	0.0014199	Pa×s	355.17	Calculated Property
η	0.0009622	Pa×s	381.52	Calculated Property
η	0.0006857	Pa×s	407.88	Calculated Property
η	0.0005091	Pa×s	434.23	Calculated Property
η	0.0003911	Pa×s	460.59	Calculated Property
η	0.0003092	Pa×s	486.94	Calculated Property
η	0.0002504	Pa×s	513.30	Calculated Property
η	0.0002070	Pa×s	539.65	Calculated Property
η	0.0001742	Pa×s	566.01	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.