Chemical Properties of Phenylacetic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C16H22O2/c1-3-4-5-7-10-14(2)18-16(17)13-15-11-8-6-9-12-15/h6-12,14H,3-5,13H2,1-2H3/b10-7+

InChI Key

SHXMLJPUXCFKKS-JXMROGBWSA-N

Formula

C16H22O2

SMILES

CCCCC=CC(C)OC(=O)Cc1ccccc1

Molecular Weight¹

246.34

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[289.67; 704.32]	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			-3.60160e+01
Coefficient B			1.41604e+00
Coefficient C			-8.70200e-04
Coefficient D			1.94500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.67	J/mol×K	273.00	Calculated Property
Cp,gas	364.65	J/mol×K	353.78	Calculated Property
Cp,gas	430.97	J/mol×K	434.56	Calculated Property
Cp,gas	489.24	J/mol×K	515.33	Calculated Property
Cp,gas	540.08	J/mol×K	596.11	Calculated Property
Cp,gas	584.10	J/mol×K	676.89	Calculated Property
Cp,gas	621.92	J/mol×K	757.67	Calculated Property
Cp,gas	654.16	J/mol×K	838.44	Calculated Property
Cp,gas	681.42	J/mol×K	919.22	Calculated Property
Cp,gas	704.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032855; 0.0001189]	Pa×s	[318.75; 600.69]	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			-1.27902e+01
Coefficient B			2.25420e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			318.75
Temperature range, max.			600.69
η	0.0032855	Pa×s	318.75	Calculated Property
η	0.0017448	Pa×s	350.08	Calculated Property
η	0.0010282	Pa×s	381.40	Calculated Property
η	0.0006565	Pa×s	412.73	Calculated Property
η	0.0004466	Pa×s	444.06	Calculated Property
η	0.0003196	Pa×s	475.38	Calculated Property
η	0.0002384	Pa×s	506.71	Calculated Property
η	0.0001840	Pa×s	538.04	Calculated Property
η	0.0001461	Pa×s	569.37	Calculated Property
η	0.0001189	Pa×s	600.69	Calculated Property

Similar Compounds

Find more compounds similar to Phenylacetic acid, oct-3-en-2-yl 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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