Chemical Properties of Zingerone

InChI

InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3

InChI Key

OJYLAHXKWMRDGS-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

COc1cc(CCC(C)=O)ccc1O

Molecular Weight¹

194.23

• 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).
• 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, 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	[217.34; 495.20]	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			-2.77800e+00
Coefficient B			9.73840e-01
Coefficient C			-6.65420e-04
Coefficient D			1.89560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.34	J/mol×K	273.00	Calculated Property
Cp,gas	266.86	J/mol×K	353.78	Calculated Property
Cp,gas	310.31	J/mol×K	434.56	Calculated Property
Cp,gas	348.30	J/mol×K	515.33	Calculated Property
Cp,gas	381.44	J/mol×K	596.11	Calculated Property
Cp,gas	410.31	J/mol×K	676.89	Calculated Property
Cp,gas	435.53	J/mol×K	757.67	Calculated Property
Cp,gas	457.68	J/mol×K	838.44	Calculated Property
Cp,gas	477.37	J/mol×K	919.22	Calculated Property
Cp,gas	495.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005280; 0.0000372]	Pa×s	[436.55; 602.17]	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			-1.71890e+01
Coefficient B			4.20942e+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.			436.55
Temperature range, max.			602.17
η	0.0005280	Pa×s	436.55	Calculated Property
η	0.0003574	Pa×s	454.95	Calculated Property
η	0.0002495	Pa×s	473.36	Calculated Property
η	0.0001788	Pa×s	491.76	Calculated Property
η	0.0001313	Pa×s	510.16	Calculated Property
η	0.0000985	Pa×s	528.56	Calculated Property
η	0.0000754	Pa×s	546.97	Calculated Property
η	0.0000587	Pa×s	565.37	Calculated Property
η	0.0000464	Pa×s	583.77	Calculated Property
η	0.0000372	Pa×s	602.17	Calculated Property

Similar Compounds

Find more compounds similar to Zingerone.

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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