Chemical Properties of p-Toluic acid, butyl ester (CAS 19277-56-6)

InChI

InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3

InChI Key

UYGHRCCJWWYXMY-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CCCCOC(=O)c1ccc(C)cc1

Molecular Weight¹

192.25

CAS

19277-56-6

Other Names

• Benzoic acid, 4-methyl-, butyl ester
• Butyl p-toluate

• 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).
• 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	[221.68; 524.96]	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			-2.21700e+00
Coefficient B			9.50640e-01
Coefficient C			-4.98560e-04
Coefficient D			7.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.68	J/mol×K	273.00	Calculated Property
Cp,gas	275.02	J/mol×K	353.78	Calculated Property
Cp,gas	322.90	J/mol×K	434.56	Calculated Property
Cp,gas	365.56	J/mol×K	515.33	Calculated Property
Cp,gas	403.22	J/mol×K	596.11	Calculated Property
Cp,gas	436.12	J/mol×K	676.89	Calculated Property
Cp,gas	464.51	J/mol×K	757.67	Calculated Property
Cp,gas	488.62	J/mol×K	838.44	Calculated Property
Cp,gas	508.70	J/mol×K	919.22	Calculated Property
Cp,gas	524.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024516; 0.0001916]	Pa×s	[306.27; 538.06]	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			-1.19282e+01
Coefficient B			1.81224e+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.			306.27
Temperature range, max.			538.06
η	0.0024516	Pa×s	306.27	Calculated Property
η	0.0015492	Pa×s	332.02	Calculated Property
η	0.0010459	Pa×s	357.78	Calculated Property
η	0.0007443	Pa×s	383.53	Calculated Property
η	0.0005529	Pa×s	409.29	Calculated Property
η	0.0004254	Pa×s	435.04	Calculated Property
η	0.0003370	Pa×s	460.79	Calculated Property
η	0.0002737	Pa×s	486.55	Calculated Property
η	0.0002270	Pa×s	512.30	Calculated Property
η	0.0001916	Pa×s	538.06	Calculated Property

Similar Compounds

Find more compounds similar to p-Toluic acid, butyl ester.

Sources

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

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