Chemical Properties of Benzoic acid, 4-isopropyl phenyl ester

InChI

InChI=1S/C16H16O2/c1-12(2)13-8-10-15(11-9-13)18-16(17)14-6-4-3-5-7-14/h3-12H,1-2H3

InChI Key

KPVUCQCHICRYHH-UHFFFAOYSA-N

Formula

C16H16O2

SMILES

CC(C)c1ccc(OC(=O)c2ccccc2)cc1

Molecular Weight¹

240.30

• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.96; 613.34]	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			-4.14400e+01
Coefficient B			1.25764e+00
Coefficient C			-7.50560e-04
Coefficient D			1.47700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.96	J/mol×K	273.00	Calculated Property
Cp,gas	316.09	J/mol×K	353.78	Calculated Property
Cp,gas	375.46	J/mol×K	434.56	Calculated Property
Cp,gas	427.55	J/mol×K	515.33	Calculated Property
Cp,gas	472.83	J/mol×K	596.11	Calculated Property
Cp,gas	511.76	J/mol×K	676.89	Calculated Property
Cp,gas	544.81	J/mol×K	757.67	Calculated Property
Cp,gas	572.44	J/mol×K	838.44	Calculated Property
Cp,gas	595.13	J/mol×K	919.22	Calculated Property
Cp,gas	613.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018567; 0.0001229]	Pa×s	[362.77; 643.01]	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			-1.25191e+01
Coefficient B			2.26012e+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.			362.77
Temperature range, max.			643.01
η	0.0018567	Pa×s	362.77	Calculated Property
η	0.0011347	Pa×s	393.91	Calculated Property
η	0.0007453	Pa×s	425.05	Calculated Property
η	0.0005184	Pa×s	456.18	Calculated Property
η	0.0003778	Pa×s	487.32	Calculated Property
η	0.0002859	Pa×s	518.46	Calculated Property
η	0.0002233	Pa×s	549.60	Calculated Property
η	0.0001791	Pa×s	580.74	Calculated Property
η	0.0001470	Pa×s	611.88	Calculated Property
η	0.0001229	Pa×s	643.01	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-isopropyl phenyl ester.

Sources

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

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