Chemical Properties of m-Toluic acid, decyl ester

InChI

InChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-10-14-20-18(19)17-13-11-12-16(2)15-17/h11-13,15H,3-10,14H2,1-2H3

InChI Key

BVTBXNPKWANFBA-UHFFFAOYSA-N

Formula

C18H28O2

SMILES

CCCCCCCCCCOC(=O)c1cccc(C)c1

Molecular Weight¹

276.41

Other Names

• m-Toluylic acid, decyl 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	[348.96; 834.51]	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			-7.67100e+00
Coefficient B			1.52064e+00
Coefficient C			-8.24960e-04
Coefficient D			1.46500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	348.96	J/mol×K	273.00	Calculated Property
Cp,gas	433.53	J/mol×K	353.78	Calculated Property
Cp,gas	509.37	J/mol×K	434.56	Calculated Property
Cp,gas	576.93	J/mol×K	515.33	Calculated Property
Cp,gas	636.68	J/mol×K	596.11	Calculated Property
Cp,gas	689.09	J/mol×K	676.89	Calculated Property
Cp,gas	734.61	J/mol×K	757.67	Calculated Property
Cp,gas	773.71	J/mol×K	838.44	Calculated Property
Cp,gas	806.86	J/mol×K	919.22	Calculated Property
Cp,gas	834.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016598; 0.0001295]	Pa×s	[373.89; 624.36]	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			-1.27591e+01
Coefficient B			2.37720e+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.			373.89
Temperature range, max.			624.36
η	0.0016598	Pa×s	373.89	Calculated Property
η	0.0010685	Pa×s	401.72	Calculated Property
η	0.0007282	Pa×s	429.55	Calculated Property
η	0.0005200	Pa×s	457.38	Calculated Property
η	0.0003860	Pa×s	485.21	Calculated Property
η	0.0002959	Pa×s	513.04	Calculated Property
η	0.0002331	Pa×s	540.87	Calculated Property
η	0.0001880	Pa×s	568.70	Calculated Property
η	0.0001547	Pa×s	596.53	Calculated Property
η	0.0001295	Pa×s	624.36	Calculated Property

Similar Compounds

Find more compounds similar to m-Toluic acid, decyl ester.

Sources

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

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