Chemical Properties of Acetyl eugenol

InChI

InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)8-12(10)14-3/h4,6-8H,1,5H2,2-3H3

InChI Key

MUFKFMXVLWHCHY-UHFFFAOYSA-N

Formula

C12H14O3

SMILES

C=CCc1ccc(OC(C)=O)cc1OC

Molecular Weight¹

206.24

Other Names

• Eugenyl acetate

• 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).
• 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, 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	[229.82; 511.91]	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			3.45910e+01
Coefficient B			8.07940e-01
Coefficient C			-3.43420e-04
Coefficient D			1.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.82	J/mol×K	273.00	Calculated Property
Cp,gas	278.01	J/mol×K	353.78	Calculated Property
Cp,gas	321.89	J/mol×K	434.56	Calculated Property
Cp,gas	361.50	J/mol×K	515.33	Calculated Property
Cp,gas	396.89	J/mol×K	596.11	Calculated Property
Cp,gas	428.10	J/mol×K	676.89	Calculated Property
Cp,gas	455.16	J/mol×K	757.67	Calculated Property
Cp,gas	478.13	J/mol×K	838.44	Calculated Property
Cp,gas	497.03	J/mol×K	919.22	Calculated Property
Cp,gas	511.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012882; 0.0001586]	Pa×s	[339.26; 557.02]	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			-1.20130e+01
Coefficient B			1.81791e+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.			339.26
Temperature range, max.			557.02
η	0.0012882	Pa×s	339.26	Calculated Property
η	0.0009017	Pa×s	363.46	Calculated Property
η	0.0006599	Pa×s	387.65	Calculated Property
η	0.0005010	Pa×s	411.85	Calculated Property
η	0.0003922	Pa×s	436.04	Calculated Property
η	0.0003150	Pa×s	460.24	Calculated Property
η	0.0002586	Pa×s	484.44	Calculated Property
η	0.0002163	Pa×s	508.63	Calculated Property
η	0.0001839	Pa×s	532.83	Calculated Property
η	0.0001586	Pa×s	557.02	Calculated Property

Similar Compounds

Find more compounds similar to Acetyl eugenol.

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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