Chemical Properties of 2-Propenoic acid, 3-phenyl-, 2-methylbutyl ester

InChI

InChI=1S/C14H18O2/c1-3-12(2)11-16-14(15)10-9-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3/b10-9+

InChI Key

SEGJDCGIQJESDC-MDZDMXLPSA-N

Formula

C14H18O2

SMILES

CCC(C)COC(=O)/C=C/c1ccccc1

Molecular Weight¹

218.30

Other Names

• 2-methylbutyl cinnamate

• 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).
• 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).
• 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 vaporization at standard conditions, 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	[247.24; 601.14]	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			-3.41980e+01
Coefficient B			1.22604e+00
Coefficient C			-7.61400e-04
Coefficient D			1.70700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.24	J/mol×K	273.00	Calculated Property
Cp,gas	311.81	J/mol×K	353.78	Calculated Property
Cp,gas	368.81	J/mol×K	434.56	Calculated Property
Cp,gas	418.78	J/mol×K	515.33	Calculated Property
Cp,gas	462.25	J/mol×K	596.11	Calculated Property
Cp,gas	499.78	J/mol×K	676.89	Calculated Property
Cp,gas	531.89	J/mol×K	757.67	Calculated Property
Cp,gas	559.13	J/mol×K	838.44	Calculated Property
Cp,gas	582.03	J/mol×K	919.22	Calculated Property
Cp,gas	601.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039314; 0.0001353]	Pa×s	[296.21; 573.00]	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			-1.25131e+01
Coefficient B			2.06588e+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.			296.21
Temperature range, max.			573.00
η	0.0039314	Pa×s	296.21	Calculated Property
η	0.0020400	Pa×s	326.96	Calculated Property
η	0.0011850	Pa×s	357.72	Calculated Property
η	0.0007502	Pa×s	388.47	Calculated Property
η	0.0005079	Pa×s	419.23	Calculated Property
η	0.0003626	Pa×s	449.98	Calculated Property
η	0.0002703	Pa×s	480.74	Calculated Property
η	0.0002088	Pa×s	511.49	Calculated Property
η	0.0001660	Pa×s	542.24	Calculated Property
η	0.0001353	Pa×s	573.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-phenyl-, 2-methylbutyl 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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