Chemical Properties of 6-Methyl-5-octen-2-one (CAS 24199-46-0)

InChI

InChI=1S/C9H16O/c1-8(2)6-4-5-7-9(3)10/h4,6,8H,5,7H2,1-3H3/b6-4+

InChI Key

VBXZHAGEYZZDJC-GQCTYLIASA-N

Formula

C9H16O

SMILES

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

Molecular Weight¹

140.22

CAS

24199-46-0

Other Names

• 5-Octen-2-one, 6-methyl-
• 6-methyloct-5-en-2-one

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.01; 442.62]	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			-1.37980e+01
Coefficient B			8.56760e-01
Coefficient C			-5.34100e-04
Coefficient D			1.33760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.01	J/mol×K	273.00	Calculated Property
Cp,gas	228.38	J/mol×K	353.78	Calculated Property
Cp,gas	268.63	J/mol×K	434.56	Calculated Property
Cp,gas	304.18	J/mol×K	515.33	Calculated Property
Cp,gas	335.47	J/mol×K	596.11	Calculated Property
Cp,gas	362.90	J/mol×K	676.89	Calculated Property
Cp,gas	386.91	J/mol×K	757.67	Calculated Property
Cp,gas	407.92	J/mol×K	838.44	Calculated Property
Cp,gas	426.35	J/mol×K	919.22	Calculated Property
Cp,gas	442.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064413; 0.0002384]	Pa×s	[221.04; 454.67]	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			-1.14607e+01
Coefficient B			1.41813e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			221.04
Temperature range, max.			454.67
η	0.0064413	Pa×s	221.04	Calculated Property
η	0.0032820	Pa×s	247.00	Calculated Property
η	0.0019011	Pa×s	272.96	Calculated Property
η	0.0012108	Pa×s	298.92	Calculated Property
η	0.0008287	Pa×s	324.88	Calculated Property
η	0.0006000	Pa×s	350.83	Calculated Property
η	0.0004542	Pa×s	376.79	Calculated Property
η	0.0003563	Pa×s	402.75	Calculated Property
η	0.0002879	Pa×s	428.71	Calculated Property
η	0.0002384	Pa×s	454.67	Calculated Property

Similar Compounds

Find more compounds similar to 6-Methyl-5-octen-2-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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