Chemical Properties of Nonanoic acid, 3-methylphenyl ester

InChI

InChI=1S/C16H24O2/c1-3-4-5-6-7-8-12-16(17)18-15-11-9-10-14(2)13-15/h9-11,13H,3-8,12H2,1-2H3

InChI Key

GEXXBWMUHRSWIH-UHFFFAOYSA-N

Formula

C16H24O2

SMILES

CCCCCCCCC(=O)Oc1cccc(C)c1

Molecular Weight¹

248.36

Other Names

• Nonoic acid, 3-methylphenyl 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_c : Critical 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 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	[306.53; 731.33]	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			-5.85300e+00
Coefficient B			1.33064e+00
Coefficient C			-7.16160e-04
Coefficient D			1.22700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.53	J/mol×K	273.00	Calculated Property
Cp,gas	380.70	J/mol×K	353.78	Calculated Property
Cp,gas	447.21	J/mol×K	434.56	Calculated Property
Cp,gas	506.47	J/mol×K	515.33	Calculated Property
Cp,gas	558.86	J/mol×K	596.11	Calculated Property
Cp,gas	604.77	J/mol×K	676.89	Calculated Property
Cp,gas	644.58	J/mol×K	757.67	Calculated Property
Cp,gas	678.68	J/mol×K	838.44	Calculated Property
Cp,gas	707.47	J/mol×K	919.22	Calculated Property
Cp,gas	731.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019534; 0.0001526]	Pa×s	[351.35; 594.69]	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			-1.24681e+01
Coefficient B			2.18888e+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.			351.35
Temperature range, max.			594.69
η	0.0019534	Pa×s	351.35	Calculated Property
η	0.0012516	Pa×s	378.39	Calculated Property
η	0.0008510	Pa×s	405.43	Calculated Property
η	0.0006072	Pa×s	432.46	Calculated Property
η	0.0004508	Pa×s	459.50	Calculated Property
η	0.0003460	Pa×s	486.54	Calculated Property
η	0.0002730	Pa×s	513.58	Calculated Property
η	0.0002206	Pa×s	540.61	Calculated Property
η	0.0001819	Pa×s	567.65	Calculated Property
η	0.0001526	Pa×s	594.69	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, 3-methylphenyl ester.

Sources

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

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