Chemical Properties of Benzoic acid, 4-(1-methylpropyl)oxy-, 1-methylpropyl ester

InChI

InChI=1S/C15H22O3/c1-5-11(3)17-14-9-7-13(8-10-14)15(16)18-12(4)6-2/h7-12H,5-6H2,1-4H3

InChI Key

CADVQIQXKHEZIB-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

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

Molecular Weight¹

250.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[300.09; 699.31]	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			1.71920e+01
Coefficient B			1.18428e+00
Coefficient C			-5.57160e-04
Coefficient D			5.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.09	J/mol×K	273.00	Calculated Property
Cp,gas	368.87	J/mol×K	353.78	Calculated Property
Cp,gas	431.13	J/mol×K	434.56	Calculated Property
Cp,gas	487.05	J/mol×K	515.33	Calculated Property
Cp,gas	536.82	J/mol×K	596.11	Calculated Property
Cp,gas	580.60	J/mol×K	676.89	Calculated Property
Cp,gas	618.56	J/mol×K	757.67	Calculated Property
Cp,gas	650.89	J/mol×K	838.44	Calculated Property
Cp,gas	677.74	J/mol×K	919.22	Calculated Property
Cp,gas	699.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024378; 0.0001129]	Pa×s	[332.31; 599.20]	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			-1.29152e+01
Coefficient B			2.29245e+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.			332.31
Temperature range, max.			599.20
η	0.0024378	Pa×s	332.31	Calculated Property
η	0.0013853	Pa×s	361.96	Calculated Property
η	0.0008576	Pa×s	391.62	Calculated Property
η	0.0005679	Pa×s	421.27	Calculated Property
η	0.0003971	Pa×s	450.93	Calculated Property
η	0.0002902	Pa×s	480.58	Calculated Property
η	0.0002199	Pa×s	510.24	Calculated Property
η	0.0001718	Pa×s	539.89	Calculated Property
η	0.0001377	Pa×s	569.55	Calculated Property
η	0.0001129	Pa×s	599.20	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(1-methylpropyl)oxy-, 1-methylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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