Chemical Properties of o-Toluic acid, nonyl ester (CAS 343598-14-1)

InChI

InChI=1S/C17H26O2/c1-3-4-5-6-7-8-11-14-19-17(18)16-13-10-9-12-15(16)2/h9-10,12-13H,3-8,11,14H2,1-2H3

InChI Key

SQNNJZFKCWXFBT-UHFFFAOYSA-N

Formula

C17H26O2

SMILES

CCCCCCCCCOC(=O)c1ccccc1C

Molecular Weight¹

262.39

CAS

343598-14-1

Other Names

• o-Toluylic acid, nonyl ester
• Benzoic acid, 2-methyl-, nonyl 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	[327.75; 782.92]	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			-6.76200e+00
Coefficient B			1.42564e+00
Coefficient C			-7.70560e-04
Coefficient D			1.34600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	327.75	J/mol×K	273.00	Calculated Property
Cp,gas	407.12	J/mol×K	353.78	Calculated Property
Cp,gas	478.29	J/mol×K	434.56	Calculated Property
Cp,gas	541.70	J/mol×K	515.33	Calculated Property
Cp,gas	597.77	J/mol×K	596.11	Calculated Property
Cp,gas	646.93	J/mol×K	676.89	Calculated Property
Cp,gas	689.59	J/mol×K	757.67	Calculated Property
Cp,gas	726.20	J/mol×K	838.44	Calculated Property
Cp,gas	757.16	J/mol×K	919.22	Calculated Property
Cp,gas	782.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018068; 0.0001412]	Pa×s	[362.62; 609.38]	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			-1.26122e+01
Coefficient B			2.28304e+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.			362.62
Temperature range, max.			609.38
η	0.0018068	Pa×s	362.62	Calculated Property
η	0.0011606	Pa×s	390.04	Calculated Property
η	0.0007902	Pa×s	417.46	Calculated Property
η	0.0005641	Pa×s	444.87	Calculated Property
η	0.0004188	Pa×s	472.29	Calculated Property
η	0.0003212	Pa×s	499.71	Calculated Property
η	0.0002533	Pa×s	527.13	Calculated Property
η	0.0002044	Pa×s	554.55	Calculated Property
η	0.0001684	Pa×s	581.97	Calculated Property
η	0.0001412	Pa×s	609.38	Calculated Property

Similar Compounds

Find more compounds similar to o-Toluic acid, nonyl 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.