Chemical Properties of Benzoic acid, 4-hydroxy-, pentyl ester (CAS 6521-29-5)

InChI

InChI=1S/C12H16O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3

InChI Key

ZNSSPLQZSUWFJT-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

CCCCCOC(=O)c1ccc(O)cc1

Molecular Weight¹

208.25

CAS

6521-29-5

Other Names

• Amyl 4-hydroxybenzoate
• Benzoic acid, p-hydroxy-, pentyl ester
• NSC 309817
• Pentyl 4-hydroxybenzoate
• Pentyl p-hydroxybenzoate
• n-Amyl 4-hydroxybenzoate
• p-Hydroxybenzoic acid pentyl ester
• p-Oxybenzoesaurepentylester

• 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	[236.02; 550.42]	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			-2.54360e+01
Coefficient B			1.16472e+00
Coefficient C			-8.21960e-04
Coefficient D			2.33100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.02	J/mol×K	273.00	Calculated Property
Cp,gas	294.06	J/mol×K	353.78	Calculated Property
Cp,gas	344.61	J/mol×K	434.56	Calculated Property
Cp,gas	388.40	J/mol×K	515.33	Calculated Property
Cp,gas	426.16	J/mol×K	596.11	Calculated Property
Cp,gas	458.64	J/mol×K	676.89	Calculated Property
Cp,gas	486.57	J/mol×K	757.67	Calculated Property
Cp,gas	510.68	J/mol×K	838.44	Calculated Property
Cp,gas	531.72	J/mol×K	919.22	Calculated Property
Cp,gas	550.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010604; 0.0000331]	Pa×s	[405.47; 597.38]	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			-1.76422e+01
Coefficient B			4.37628e+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.			405.47
Temperature range, max.			597.38
η	0.0010604	Pa×s	405.47	Calculated Property
η	0.0006184	Pa×s	426.79	Calculated Property
η	0.0003796	Pa×s	448.12	Calculated Property
η	0.0002436	Pa×s	469.44	Calculated Property
η	0.0001625	Pa×s	490.76	Calculated Property
η	0.0001121	Pa×s	512.09	Calculated Property
η	0.0000797	Pa×s	533.41	Calculated Property
η	0.0000581	Pa×s	554.73	Calculated Property
η	0.0000434	Pa×s	576.05	Calculated Property
η	0.0000331	Pa×s	597.38	Calculated Property

Similar Compounds

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

Sources

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

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