Chemical Properties of 2-Propanone, 1-cyclohexylidene-

InChI

InChI=1S/C9H14O/c1-8(10)7-9-5-3-2-4-6-9/h7H,2-6H2,1H3

InChI Key

KVSOBMXTKPYCSG-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC(=O)C=C1CCCCC1

Molecular Weight¹

138.21

Other Names

• Cyclohexylideneacetone
• 1-Cyclohexylidene-2-propanone

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[149.26; 417.10]	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			-5.83800e+01
Coefficient B			9.01920e-01
Coefficient C			-5.52000e-04
Coefficient D			1.25560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.26	J/mol×K	273.00	Calculated Property
Cp,gas	197.17	J/mol×K	353.78	Calculated Property
Cp,gas	239.62	J/mol×K	434.56	Calculated Property
Cp,gas	277.00	J/mol×K	515.33	Calculated Property
Cp,gas	309.71	J/mol×K	596.11	Calculated Property
Cp,gas	338.15	J/mol×K	676.89	Calculated Property
Cp,gas	362.71	J/mol×K	757.67	Calculated Property
Cp,gas	383.79	J/mol×K	838.44	Calculated Property
Cp,gas	401.79	J/mol×K	919.22	Calculated Property
Cp,gas	417.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048257; 0.0002474]	Pa×s	[263.10; 495.88]	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			-1.16622e+01
Coefficient B			1.66501e+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.			263.10
Temperature range, max.			495.88
η	0.0048257	Pa×s	263.10	Calculated Property
η	0.0027388	Pa×s	288.96	Calculated Property
η	0.0017060	Pa×s	314.83	Calculated Property
η	0.0011419	Pa×s	340.69	Calculated Property
η	0.0008088	Pa×s	366.56	Calculated Property
η	0.0005996	Pa×s	392.42	Calculated Property
η	0.0004612	Pa×s	418.28	Calculated Property
η	0.0003658	Pa×s	444.15	Calculated Property
η	0.0002976	Pa×s	470.01	Calculated Property
η	0.0002474	Pa×s	495.88	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-cyclohexylidene-.

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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