Chemical Properties of 5-Hexen-2-one, 5-methyl-3-ethenyl

InChI

InChI=1S/C8H12O/c1-4-6-8(5-2)7(3)9/h4-5,8H,1-2,6H2,3H3

InChI Key

OOVROPCQEWXDEX-UHFFFAOYSA-N

Formula

C8H12O

SMILES

C=CCC(C=C)C(C)=O

Molecular Weight¹

124.18

• 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_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, 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	[156.18; 364.59]	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			-4.68900e+00
Coefficient B			7.01720e-01
Coefficient C			-4.41700e-04
Coefficient D			1.09260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.18	J/mol×K	273.00	Calculated Property
Cp,gas	193.12	J/mol×K	353.78	Calculated Property
Cp,gas	225.80	J/mol×K	434.56	Calculated Property
Cp,gas	254.58	J/mol×K	515.33	Calculated Property
Cp,gas	279.80	J/mol×K	596.11	Calculated Property
Cp,gas	301.81	J/mol×K	676.89	Calculated Property
Cp,gas	320.94	J/mol×K	757.67	Calculated Property
Cp,gas	337.55	J/mol×K	838.44	Calculated Property
Cp,gas	351.99	J/mol×K	919.22	Calculated Property
Cp,gas	364.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051821; 0.0002741]	Pa×s	[211.33; 431.52]	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			-1.10232e+01
Coefficient B			1.21741e+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.			211.33
Temperature range, max.			431.52
η	0.0051821	Pa×s	211.33	Calculated Property
η	0.0028505	Pa×s	235.80	Calculated Property
η	0.0017544	Pa×s	260.26	Calculated Property
η	0.0011738	Pa×s	284.73	Calculated Property
η	0.0008368	Pa×s	309.19	Calculated Property
η	0.0006270	Pa×s	333.66	Calculated Property
η	0.0004887	Pa×s	358.13	Calculated Property
η	0.0003932	Pa×s	382.59	Calculated Property
η	0.0003247	Pa×s	407.06	Calculated Property
η	0.0002741	Pa×s	431.52	Calculated Property

Similar Compounds

Find more compounds similar to 5-Hexen-2-one, 5-methyl-3-ethenyl.

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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