Chemical Properties of Benzyl 4-hydroxybenzoate (CAS 94-18-8)

InChI

InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2

InChI Key

MOZDKDIOPSPTBH-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

O=C(OCc1ccccc1)c1ccc(O)cc1

Molecular Weight¹

228.24

CAS

94-18-8

Other Names

• Benzyl p-hydroxybenzoate
• p-Hydroxybenzoic acid benzyl ester
• Benzoic acid, 4-hydroxy-, phenylmethyl ester
• Benzoic acid, p-hydroxy-, benzyl ester
• Benzyl paraben
• Benzyl Parasept
• Benzyl Tegosept
• Nipabenzyl
• Parosept
• Solbrol Z
• NSC 8080
• 4-Hydroxybenzoic acid benzyl 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).
• 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	[221.19; 535.08]	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			-6.11590e+01
Coefficient B			1.27580e+00
Coefficient C			-9.61960e-04
Coefficient D			2.82400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.19	J/mol×K	273.00	Calculated Property
Cp,gas	282.30	J/mol×K	353.78	Calculated Property
Cp,gas	334.77	J/mol×K	434.56	Calculated Property
Cp,gas	379.49	J/mol×K	515.33	Calculated Property
Cp,gas	417.35	J/mol×K	596.11	Calculated Property
Cp,gas	449.25	J/mol×K	676.89	Calculated Property
Cp,gas	476.08	J/mol×K	757.67	Calculated Property
Cp,gas	498.73	J/mol×K	838.44	Calculated Property
Cp,gas	518.10	J/mol×K	919.22	Calculated Property
Cp,gas	535.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004464; 0.0000168]	Pa×s	[454.43; 672.45]	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			-1.78326e+01
Coefficient B			4.59802e+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.			454.43
Temperature range, max.			672.45
η	0.0004464	Pa×s	454.43	Calculated Property
η	0.0002675	Pa×s	478.65	Calculated Property
η	0.0001684	Pa×s	502.88	Calculated Property
η	0.0001106	Pa×s	527.10	Calculated Property
η	0.0000754	Pa×s	551.33	Calculated Property
η	0.0000531	Pa×s	575.55	Calculated Property
η	0.0000384	Pa×s	599.78	Calculated Property
η	0.0000285	Pa×s	624.00	Calculated Property
η	0.0000217	Pa×s	648.23	Calculated Property
η	0.0000168	Pa×s	672.45	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl 4-hydroxybenzoate.

Sources

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

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