Chemical Properties of sec-Butyl 4-hydroxybenzoate (CAS 17696-61-6)

InChI

InChI=1S/C11H14O3/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8,12H,3H2,1-2H3

InChI Key

ZUOTXZHOGPQFIU-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CCC(C)OC(=O)c1ccc(O)cc1

Molecular Weight¹

194.23

CAS

17696-61-6

Other Names

• Benzoic acid, 4-hydroxy-, 1-methylpropyl ester
• Benzoic acid, p-hydroxy-, sec-butyl ester
• p-Hydroxybenzoic acid sec-butyl ester
• sec-Butyl p-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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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	[214.49; 499.37]	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			-2.62090e+01
Coefficient B			1.07564e+00
Coefficient C			-7.70760e-04
Coefficient D			2.20700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.49	J/mol×K	273.00	Calculated Property
Cp,gas	267.63	J/mol×K	353.78	Calculated Property
Cp,gas	313.78	J/mol×K	434.56	Calculated Property
Cp,gas	353.62	J/mol×K	515.33	Calculated Property
Cp,gas	387.85	J/mol×K	596.11	Calculated Property
Cp,gas	417.18	J/mol×K	676.89	Calculated Property
Cp,gas	442.30	J/mol×K	757.67	Calculated Property
Cp,gas	463.90	J/mol×K	838.44	Calculated Property
Cp,gas	482.70	J/mol×K	919.22	Calculated Property
Cp,gas	499.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019214; 0.0000341]	Pa×s	[379.20; 586.77]	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			-1.76470e+01
Coefficient B			4.31994e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			379.20
Temperature range, max.			586.77
η	0.0019214	Pa×s	379.20	Calculated Property
η	0.0009999	Pa×s	402.26	Calculated Property
η	0.0005585	Pa×s	425.33	Calculated Property
η	0.0003312	Pa×s	448.39	Calculated Property
η	0.0002068	Pa×s	471.45	Calculated Property
η	0.0001349	Pa×s	494.52	Calculated Property
η	0.0000914	Pa×s	517.58	Calculated Property
η	0.0000640	Pa×s	540.65	Calculated Property
η	0.0000462	Pa×s	563.71	Calculated Property
η	0.0000341	Pa×s	586.77	Calculated Property

Similar Compounds

Find more compounds similar to sec-Butyl 4-hydroxybenzoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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