Chemical Properties of Phenylacetic acid, undec-2-enyl ester

InChI

InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-21-19(20)17-18-14-11-10-12-15-18/h9-15H,2-8,16-17H2,1H3/b13-9+

InChI Key

FWVZPQUCMWVYEI-UKTHLTGXSA-N

Formula

C19H28O2

SMILES

CCCCCCCCC=CCOC(=O)Cc1ccccc1

Molecular Weight¹

288.42

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, 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	[353.62; 858.56]	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			-3.70610e+01
Coefficient B			1.69512e+00
Coefficient C			-1.03020e-03
Coefficient D			2.30700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.62	J/mol×K	273.00	Calculated Property
Cp,gas	443.91	J/mol×K	353.78	Calculated Property
Cp,gas	523.95	J/mol×K	434.56	Calculated Property
Cp,gas	594.47	J/mol×K	515.33	Calculated Property
Cp,gas	656.21	J/mol×K	596.11	Calculated Property
Cp,gas	709.88	J/mol×K	676.89	Calculated Property
Cp,gas	756.22	J/mol×K	757.67	Calculated Property
Cp,gas	795.96	J/mol×K	838.44	Calculated Property
Cp,gas	829.83	J/mol×K	919.22	Calculated Property
Cp,gas	858.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018418; 0.0001005]	Pa×s	[367.56; 642.42]	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			-1.30955e+01
Coefficient B			2.49886e+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.			367.56
Temperature range, max.			642.42
η	0.0018418	Pa×s	367.56	Calculated Property
η	0.0010933	Pa×s	398.10	Calculated Property
η	0.0006990	Pa×s	428.64	Calculated Property
η	0.0004744	Pa×s	459.18	Calculated Property
η	0.0003378	Pa×s	489.72	Calculated Property
η	0.0002504	Pa×s	520.26	Calculated Property
η	0.0001919	Pa×s	550.80	Calculated Property
η	0.0001512	Pa×s	581.34	Calculated Property
η	0.0001220	Pa×s	611.88	Calculated Property
η	0.0001005	Pa×s	642.42	Calculated Property

Similar Compounds

Find more compounds similar to Phenylacetic acid, undec-2-enyl ester.

Sources

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

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