Chemical Properties of Benzoic acid, 4-(1-methylethyl)-, methyl ester

InChI

InChI=1S/C11H14O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h4-8H,1-3H3

InChI Key

IPIVTJSCIHXKOE-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

COC(=O)c1ccc(C(C)C)cc1

Molecular Weight¹

178.23

Other Names

• 4-Isopropylmethyl benzenecarboxylate
• Benzoic acid, p-isopropyl-, methyl ester
• Methyl 4-isopropylbenzoate
• Methyl cumate
• Methyl cuminate
• Methyl p-isopropylbenzoate
• methyl 4-(1-methylethyl)benzoate

• 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	[200.15; 473.91]	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			-2.99000e+00
Coefficient B			8.61560e-01
Coefficient C			-4.47360e-04
Coefficient D			6.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.15	J/mol×K	273.00	Calculated Property
Cp,gas	248.60	J/mol×K	353.78	Calculated Property
Cp,gas	292.07	J/mol×K	434.56	Calculated Property
Cp,gas	330.78	J/mol×K	515.33	Calculated Property
Cp,gas	364.91	J/mol×K	596.11	Calculated Property
Cp,gas	394.67	J/mol×K	676.89	Calculated Property
Cp,gas	420.25	J/mol×K	757.67	Calculated Property
Cp,gas	441.85	J/mol×K	838.44	Calculated Property
Cp,gas	459.67	J/mol×K	919.22	Calculated Property
Cp,gas	473.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034553; 0.0001826]	Pa×s	[280.00; 527.15]	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			-1.19389e+01
Coefficient B			1.75590e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			280.00
Temperature range, max.			527.15
η	0.0034553	Pa×s	280.00	Calculated Property
η	0.0019735	Pa×s	307.46	Calculated Property
η	0.0012356	Pa×s	334.92	Calculated Property
η	0.0008305	Pa×s	362.38	Calculated Property
η	0.0005903	Pa×s	389.84	Calculated Property
η	0.0004389	Pa×s	417.30	Calculated Property
η	0.0003385	Pa×s	444.77	Calculated Property
η	0.0002691	Pa×s	472.23	Calculated Property
η	0.0002193	Pa×s	499.69	Calculated Property
η	0.0001826	Pa×s	527.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(1-methylethyl)-, methyl ester.

Sources

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

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