Chemical Properties of Isopropyl 4-acetoxybenzoate

InChI

InChI=1S/C12H14O4/c1-8(2)15-12(14)10-4-6-11(7-5-10)16-9(3)13/h4-8H,1-3H3

InChI Key

PUUGJQYFLLDSOH-UHFFFAOYSA-N

Formula

C12H14O4

SMILES

CC(=O)Oc1ccc(C(=O)OC(C)C)cc1

Molecular Weight¹

222.24

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[237.70; 533.61]	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			2.15100e+01
Coefficient B			9.01760e-01
Coefficient C			-4.07160e-04
Coefficient D			1.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.70	J/mol×K	273.00	Calculated Property
Cp,gas	290.35	J/mol×K	353.78	Calculated Property
Cp,gas	337.92	J/mol×K	434.56	Calculated Property
Cp,gas	380.48	J/mol×K	515.33	Calculated Property
Cp,gas	418.08	J/mol×K	596.11	Calculated Property
Cp,gas	450.78	J/mol×K	676.89	Calculated Property
Cp,gas	478.62	J/mol×K	757.67	Calculated Property
Cp,gas	501.67	J/mol×K	838.44	Calculated Property
Cp,gas	519.98	J/mol×K	919.22	Calculated Property
Cp,gas	533.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025535; 0.0001440]	Pa×s	[333.60; 583.52]	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			-1.26842e+01
Coefficient B			2.23978e+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.			333.60
Temperature range, max.			583.52
η	0.0025535	Pa×s	333.60	Calculated Property
η	0.0015243	Pa×s	361.37	Calculated Property
η	0.0009795	Pa×s	389.14	Calculated Property
η	0.0006676	Pa×s	416.91	Calculated Property
η	0.0004773	Pa×s	444.68	Calculated Property
η	0.0003550	Pa×s	472.45	Calculated Property
η	0.0002728	Pa×s	500.21	Calculated Property
η	0.0002156	Pa×s	527.98	Calculated Property
η	0.0001744	Pa×s	555.75	Calculated Property
η	0.0001440	Pa×s	583.52	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl 4-acetoxybenzoate.

Sources

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

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