Chemical Properties of para-Tolyl octanoate (CAS 59558-23-5)

InChI

InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3

InChI Key

ALRYNTSLFYRKGF-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CCCCCCCC(=O)Oc1ccc(C)cc1

Molecular Weight¹

234.33

CAS

59558-23-5

Other Names

• p-Cresyl caprylate
• n-Octanoic acid p-tolyl ester
• Octanoic acid, 4-methylphenyl ester
• p-Cresyl capryrate
• p-Cresyl octanoate
• p-Tolyl octanoate
• Octanoic acid, p-tolyl ester
• p-Tolyl n-octanoate
• Caprylic acid, p-tolyl 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.
• I : 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	[285.32; 679.74]	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			-4.94400e+00
Coefficient B			1.23564e+00
Coefficient C			-6.61760e-04
Coefficient D			1.10800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.32	J/mol×K	273.00	Calculated Property
Cp,gas	354.28	J/mol×K	353.78	Calculated Property
Cp,gas	416.14	J/mol×K	434.56	Calculated Property
Cp,gas	471.24	J/mol×K	515.33	Calculated Property
Cp,gas	519.95	J/mol×K	596.11	Calculated Property
Cp,gas	562.61	J/mol×K	676.89	Calculated Property
Cp,gas	599.56	J/mol×K	757.67	Calculated Property
Cp,gas	631.17	J/mol×K	838.44	Calculated Property
Cp,gas	657.78	J/mol×K	919.22	Calculated Property
Cp,gas	679.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020960; 0.0001638]	Pa×s	[340.08; 580.24]	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			-1.23272e+01
Coefficient B			2.09472e+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.			340.08
Temperature range, max.			580.24
η	0.0020960	Pa×s	340.08	Calculated Property
η	0.0013389	Pa×s	366.76	Calculated Property
η	0.0009089	Pa×s	393.45	Calculated Property
η	0.0006481	Pa×s	420.13	Calculated Property
η	0.0004812	Pa×s	446.82	Calculated Property
η	0.0003695	Pa×s	473.50	Calculated Property
η	0.0002918	Pa×s	500.19	Calculated Property
η	0.0002360	Pa×s	526.87	Calculated Property
η	0.0001949	Pa×s	553.56	Calculated Property
η	0.0001638	Pa×s	580.24	Calculated Property

Similar Compounds

Find more compounds similar to para-Tolyl octanoate.

Sources

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

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