Chemical Properties of 3-Hepten-2-one, 5-methyl- (CAS 5090-16-4)

InChI

InChI=1S/C8H14O/c1-4-7(2)5-6-8(3)9/h5-7H,4H2,1-3H3/b6-5+

InChI Key

QDUQNQQMHZNNTG-AATRIKPKSA-N

Formula

C8H14O

SMILES

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

Molecular Weight¹

126.20

CAS

5090-16-4

Other Names

• 5-Methyl-3-hepten-2-one

• 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).
• T_boil : Normal Boiling Point Temperature (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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.89; 306.64]	J/mol×K	[440.23; 628.49]
Cp,gas	239.89	J/mol×K	440.23	Joback Calculated Property
Cp,gas	252.45	J/mol×K	471.61	Joback Calculated Property
Cp,gas	264.41	J/mol×K	502.98	Joback Calculated Property
Cp,gas	275.78	J/mol×K	534.36	Joback Calculated Property
Cp,gas	286.60	J/mol×K	565.74	Joback Calculated Property
Cp,gas	296.88	J/mol×K	597.11	Joback Calculated Property
Cp,gas	306.64	J/mol×K	628.49	Joback Calculated Property
η	[0.0002341; 0.0063735]	Pa×s	[209.77; 440.23]
η	0.0063735	Pa×s	209.77	Joback Calculated Property
η	0.0023997	Pa×s	248.18	Joback Calculated Property
η	0.0011739	Pa×s	286.59	Joback Calculated Property
η	0.0006800	Pa×s	325.00	Joback Calculated Property
η	0.0004421	Pa×s	363.41	Joback Calculated Property
η	0.0003121	Pa×s	401.82	Joback Calculated Property
η	0.0002341	Pa×s	440.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hepten-2-one, 5-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

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