Chemical Properties of Peroxybenzoic acid, tert-butyl ester

InChI

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

InChI Key

GJBRNHKUVLOCEB-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CC(C)(C)OOC(=O)c1ccccc1

Molecular Weight¹

194.23

Other Names

• tert-butyl perbenzoate
• tert-Butyl peroxybenzoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.86; 496.38]	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			-1.45800e+01
Coefficient B			9.77760e-01
Coefficient C			-5.72000e-04
Coefficient D			1.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.86	J/mol×K	273.00	Calculated Property
Cp,gas	264.40	J/mol×K	353.78	Calculated Property
Cp,gas	310.93	J/mol×K	434.56	Calculated Property
Cp,gas	351.78	J/mol×K	515.33	Calculated Property
Cp,gas	387.30	J/mol×K	596.11	Calculated Property
Cp,gas	417.80	J/mol×K	676.89	Calculated Property
Cp,gas	443.63	J/mol×K	757.67	Calculated Property
Cp,gas	465.11	J/mol×K	838.44	Calculated Property
Cp,gas	482.59	J/mol×K	919.22	Calculated Property
Cp,gas	496.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030538; 0.0001520]	Pa×s	[307.13; 540.96]	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			-1.27330e+01
Coefficient B			2.13197e+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.			307.13
Temperature range, max.			540.96
η	0.0030538	Pa×s	307.13	Calculated Property
η	0.0017771	Pa×s	333.11	Calculated Property
η	0.0011184	Pa×s	359.09	Calculated Property
η	0.0007493	Pa×s	385.07	Calculated Property
η	0.0005280	Pa×s	411.05	Calculated Property
η	0.0003879	Pa×s	437.03	Calculated Property
η	0.0002950	Pa×s	463.02	Calculated Property
η	0.0002310	Pa×s	489.00	Calculated Property
η	0.0001854	Pa×s	514.98	Calculated Property
η	0.0001520	Pa×s	540.96	Calculated Property

Similar Compounds

Find more compounds similar to Peroxybenzoic acid, tert-butyl ester.

Sources

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

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