Chemical Properties of Benzoic acid, 3-methyl-, 2-methylpentyl ester

InChI

InChI=1S/C14H20O2/c1-4-6-12(3)10-16-14(15)13-8-5-7-11(2)9-13/h5,7-9,12H,4,6,10H2,1-3H3

InChI Key

OZKOMPPHFFQKGN-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CCCC(C)COC(=O)c1cccc(C)c1

Molecular Weight¹

220.31

• 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).
• 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 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	[263.79; 628.68]	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			-5.71700e+00
Coefficient B			1.14656e+00
Coefficient C			-6.10560e-04
Coefficient D			9.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.79	J/mol×K	273.00	Calculated Property
Cp,gas	327.85	J/mol×K	353.78	Calculated Property
Cp,gas	385.30	J/mol×K	434.56	Calculated Property
Cp,gas	436.46	J/mol×K	515.33	Calculated Property
Cp,gas	481.64	J/mol×K	596.11	Calculated Property
Cp,gas	521.15	J/mol×K	676.89	Calculated Property
Cp,gas	555.29	J/mol×K	757.67	Calculated Property
Cp,gas	584.39	J/mol×K	838.44	Calculated Property
Cp,gas	608.75	J/mol×K	919.22	Calculated Property
Cp,gas	628.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029429; 0.0001604]	Pa×s	[313.81; 568.40]	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			-1.23240e+01
Coefficient B			2.03838e+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.			313.81
Temperature range, max.			568.40
η	0.0029429	Pa×s	313.81	Calculated Property
η	0.0017199	Pa×s	342.10	Calculated Property
η	0.0010911	Pa×s	370.38	Calculated Property
η	0.0007384	Pa×s	398.67	Calculated Property
η	0.0005262	Pa×s	426.96	Calculated Property
η	0.0003911	Pa×s	455.25	Calculated Property
η	0.0003010	Pa×s	483.53	Calculated Property
η	0.0002384	Pa×s	511.82	Calculated Property
η	0.0001936	Pa×s	540.11	Calculated Property
η	0.0001604	Pa×s	568.40	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-methyl-, 2-methylpentyl ester.

Sources

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

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