Chemical Properties of 7-Octen-2-one, 6-methyl- (CAS 35215-49-7)

InChI

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

InChI Key

AQWAXHULODKDEJ-UHFFFAOYSA-N

Formula

C9H16O

SMILES

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

Molecular Weight¹

140.22

CAS

35215-49-7

Other Names

• 6-methyl-7-octen-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).
• I : Polar retention indices.
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.21; 444.69]	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			-2.60700e+00
Coefficient B			8.16740e-01
Coefficient C			-4.73200e-04
Coefficient D			1.03760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.21	J/mol×K	273.00	Calculated Property
Cp,gas	231.71	J/mol×K	353.78	Calculated Property
Cp,gas	271.47	J/mol×K	434.56	Calculated Property
Cp,gas	306.82	J/mol×K	515.33	Calculated Property
Cp,gas	338.09	J/mol×K	596.11	Calculated Property
Cp,gas	365.60	J/mol×K	676.89	Calculated Property
Cp,gas	389.69	J/mol×K	757.67	Calculated Property
Cp,gas	410.69	J/mol×K	838.44	Calculated Property
Cp,gas	428.91	J/mol×K	919.22	Calculated Property
Cp,gas	444.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060877; 0.0002884]	Pa×s	[224.36; 446.04]	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			-1.12377e+01
Coefficient B			1.37673e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.36
Temperature range, max.			446.04
η	0.0060877	Pa×s	224.36	Calculated Property
η	0.0033176	Pa×s	248.99	Calculated Property
η	0.0020168	Pa×s	273.62	Calculated Property
η	0.0013311	Pa×s	298.25	Calculated Property
η	0.0009360	Pa×s	322.89	Calculated Property
η	0.0006919	Pa×s	347.52	Calculated Property
η	0.0005323	Pa×s	372.15	Calculated Property
η	0.0004231	Pa×s	396.78	Calculated Property
η	0.0003454	Pa×s	421.41	Calculated Property
η	0.0002884	Pa×s	446.04	Calculated Property

Similar Compounds

Find more compounds similar to 7-Octen-2-one, 6-methyl-.

Sources

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

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