Chemical Properties of Yuzunone

InChI

InChI=1S/C11H16O/c1-3-5-6-7-8-9-10-11(12)4-2/h3,5-8H,1,4,9-10H2,2H3/b6-5+,8-7-

InChI Key

AJRVUFGWENEBHO-MDAAKZFYSA-N

Formula

C11H16O

SMILES

C=CC=CC=CCCC(=O)CC

Molecular Weight¹

164.24

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.97	kJ/mol	Joback Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
logPoct/wat	3.044		Crippen Calculated Property
McVol	154.520	ml/mol	McGowan Calculated Property
Ip	[1899.00; 1899.00]
Ip	1899.00		NIST
Ip	1899.00		NIST
Tboil	482.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[201.94; 486.17]	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			-3.11070e+01
Coefficient B			1.04082e+00
Coefficient C			-7.46400e-04
Coefficient D			2.22860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.94	J/mol×K	273.00	Calculated Property
Cp,gas	253.56	J/mol×K	353.78	Calculated Property
Cp,gas	298.53	J/mol×K	434.56	Calculated Property
Cp,gas	337.54	J/mol×K	515.33	Calculated Property
Cp,gas	371.31	J/mol×K	596.11	Calculated Property
Cp,gas	400.54	J/mol×K	676.89	Calculated Property
Cp,gas	425.94	J/mol×K	757.67	Calculated Property
Cp,gas	448.21	J/mol×K	838.44	Calculated Property
Cp,gas	468.05	J/mol×K	919.22	Calculated Property
Cp,gas	486.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035611; 0.0002037]	Pa×s	[251.74; 490.49]	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			-1.15156e+01
Coefficient B			1.47971e+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.			251.74
Temperature range, max.			490.49
η	0.0035611	Pa×s	251.74	Calculated Property
η	0.0020334	Pa×s	278.27	Calculated Property
η	0.0012801	Pa×s	304.79	Calculated Property
η	0.0008678	Pa×s	331.32	Calculated Property
η	0.0006232	Pa×s	357.85	Calculated Property
η	0.0004685	Pa×s	384.38	Calculated Property
η	0.0003654	Pa×s	410.90	Calculated Property
η	0.0002937	Pa×s	437.43	Calculated Property
η	0.0002421	Pa×s	463.96	Calculated Property
η	0.0002037	Pa×s	490.49	Calculated Property

Similar Compounds

Find more compounds similar to Yuzunone.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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