Chemical Properties of 2-Ethylbutyric acid, 2-isopropylphenyl ester

InChI

InChI=1S/C15H22O2/c1-5-12(6-2)15(16)17-14-10-8-7-9-13(14)11(3)4/h7-12H,5-6H2,1-4H3

InChI Key

CQTLCBJYJHAEBR-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CCC(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

234.34

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[284.69; 680.81]	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			-8.30800e+00
Coefficient B			1.24748e+00
Coefficient C			-6.68160e-04
Coefficient D			1.09800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.69	J/mol×K	273.00	Calculated Property
Cp,gas	354.26	J/mol×K	353.78	Calculated Property
Cp,gas	416.63	J/mol×K	434.56	Calculated Property
Cp,gas	472.14	J/mol×K	515.33	Calculated Property
Cp,gas	521.16	J/mol×K	596.11	Calculated Property
Cp,gas	564.01	J/mol×K	676.89	Calculated Property
Cp,gas	601.06	J/mol×K	757.67	Calculated Property
Cp,gas	632.64	J/mol×K	838.44	Calculated Property
Cp,gas	659.11	J/mol×K	919.22	Calculated Property
Cp,gas	680.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037131; 0.0001386]	Pa×s	[310.08; 584.78]	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			-1.25952e+01
Coefficient B			2.17036e+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.			310.08
Temperature range, max.			584.78
η	0.0037131	Pa×s	310.08	Calculated Property
η	0.0019831	Pa×s	340.60	Calculated Property
η	0.0011742	Pa×s	371.12	Calculated Property
η	0.0007529	Pa×s	401.65	Calculated Property
η	0.0005141	Pa×s	432.17	Calculated Property
η	0.0003691	Pa×s	462.69	Calculated Property
η	0.0002761	Pa×s	493.21	Calculated Property
η	0.0002136	Pa×s	523.73	Calculated Property
η	0.0001701	Pa×s	554.25	Calculated Property
η	0.0001386	Pa×s	584.78	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 2-isopropylphenyl 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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