Chemical Properties of Bicyclo[3.3.1]nonan-2-one (CAS 2568-17-4)

InChI

InChI=1S/C9H14O/c10-9-5-4-7-2-1-3-8(9)6-7/h7-8H,1-6H2

InChI Key

JTYKTCBMGNIYBC-UHFFFAOYSA-N

Formula

C9H14O

SMILES

O=C1CCC2CCCC1C2

Molecular Weight¹

138.21

CAS

2568-17-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[141.21; 447.59]	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			-8.47100e+01
Coefficient B			9.63500e-01
Coefficient C			-5.23000e-04
Coefficient D			9.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.21	J/mol×K	273.00	Calculated Property
Cp,gas	194.76	J/mol×K	353.78	Calculated Property
Cp,gas	242.75	J/mol×K	434.56	Calculated Property
Cp,gas	285.48	J/mol×K	515.33	Calculated Property
Cp,gas	323.24	J/mol×K	596.11	Calculated Property
Cp,gas	356.32	J/mol×K	676.89	Calculated Property
Cp,gas	385.00	J/mol×K	757.67	Calculated Property
Cp,gas	409.58	J/mol×K	838.44	Calculated Property
Cp,gas	430.34	J/mol×K	919.22	Calculated Property
Cp,gas	447.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.3.1]nonan-2-one.

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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