Chemical Properties of 5-Octen-4-one, 7-methyl- (CAS 32064-78-1)

InChI

InChI=1S/C9H16O/c1-4-5-9(10)7-6-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+

InChI Key

KBOYTXRTSGPWID-VOTSOKGWSA-N

Formula

C9H16O

SMILES

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

Molecular Weight¹

140.22

CAS

32064-78-1

Other Names

• 7-methyl-5-octen-4-one

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.71; 354.02]	J/mol×K	[463.11; 649.53]
Cp,gas	281.71	J/mol×K	463.11	Joback Calculated Property
Cp,gas	295.30	J/mol×K	494.18	Joback Calculated Property
Cp,gas	308.25	J/mol×K	525.25	Joback Calculated Property
Cp,gas	320.57	J/mol×K	556.32	Joback Calculated Property
Cp,gas	332.28	J/mol×K	587.39	Joback Calculated Property
Cp,gas	343.43	J/mol×K	618.46	Joback Calculated Property
Cp,gas	354.02	J/mol×K	649.53	Joback Calculated Property
η	[0.0002252; 0.0064413]	Pa×s	[221.04; 463.11]
η	0.0064413	Pa×s	221.04	Joback Calculated Property
η	0.0023928	Pa×s	261.38	Joback Calculated Property
η	0.0011584	Pa×s	301.73	Joback Calculated Property
η	0.0006654	Pa×s	342.07	Joback Calculated Property
η	0.0004297	Pa×s	382.42	Joback Calculated Property
η	0.0003016	Pa×s	422.76	Joback Calculated Property
η	0.0002252	Pa×s	463.11	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[340.22; 523.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.27643e+01
Coefficient B			-3.39561e+03
Coefficient C			-6.80630e+01
Temperature range, min.			340.22
Temperature range, max.			523.67
Pvap	1.33	kPa	340.22	Calculated Property
Pvap	3.18	kPa	360.60	Calculated Property
Pvap	6.77	kPa	380.99	Calculated Property
Pvap	13.15	kPa	401.37	Calculated Property
Pvap	23.66	kPa	421.75	Calculated Property
Pvap	39.92	kPa	442.14	Calculated Property
Pvap	63.82	kPa	462.52	Calculated Property
Pvap	97.42	kPa	482.90	Calculated Property
Pvap	142.93	kPa	503.29	Calculated Property
Pvap	202.64	kPa	523.67	Calculated Property

Similar Compounds

Find more compounds similar to 5-Octen-4-one, 7-methyl-.

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
• The Yaws Handbook of Vapor Pressure

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