Chemical Properties of Benzoic acid, 2-hydroxy-, 4-methylphenyl ester (CAS 607-88-5)

InChI

InChI=1S/C14H12O3/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3

InChI Key

AMYKXJAXRJCLCV-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

Cc1ccc(OC(=O)c2ccccc2O)cc1

Molecular Weight¹

228.24

CAS

607-88-5

Other Names

• p-Cresyl salicylate
• p-Tolyl salicylate
• Salicylic acid, p-tolyl ester
• 4-Methylphenyl salicylate
• 4-Methylphenyl 2-hydroxybenzoate

• 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	[223.74; 532.04]	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			-4.68600e+01
Coefficient B			1.21632e+00
Coefficient C			-8.94920e-04
Coefficient D			2.57500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.74	J/mol×K	273.00	Calculated Property
Cp,gas	282.84	J/mol×K	353.78	Calculated Property
Cp,gas	333.83	J/mol×K	434.56	Calculated Property
Cp,gas	377.53	J/mol×K	515.33	Calculated Property
Cp,gas	414.74	J/mol×K	596.11	Calculated Property
Cp,gas	446.28	J/mol×K	676.89	Calculated Property
Cp,gas	472.97	J/mol×K	757.67	Calculated Property
Cp,gas	495.61	J/mol×K	838.44	Calculated Property
Cp,gas	515.03	J/mol×K	919.22	Calculated Property
Cp,gas	532.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003350; 0.0000164]	Pa×s	[466.95; 676.51]	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			-1.77386e+01
Coefficient B			4.54676e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.95
Temperature range, max.			676.51
η	0.0003350	Pa×s	466.95	Calculated Property
η	0.0002109	Pa×s	490.23	Calculated Property
η	0.0001385	Pa×s	513.52	Calculated Property
η	0.0000944	Pa×s	536.80	Calculated Property
η	0.0000663	Pa×s	560.09	Calculated Property
η	0.0000480	Pa×s	583.37	Calculated Property
η	0.0000356	Pa×s	606.65	Calculated Property
η	0.0000270	Pa×s	629.94	Calculated Property
η	0.0000209	Pa×s	653.22	Calculated Property
η	0.0000164	Pa×s	676.51	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-hydroxy-, 4-methylphenyl ester.

Sources

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

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