Chemical Properties of Bicyclo[2.2.1]heptan-2-one, 1,4,7,7-tetramethyl- (CAS 10309-50-9)

InChI

InChI=1S/C11H18O/c1-9(2)10(3)5-6-11(9,4)8(12)7-10/h5-7H2,1-4H3

InChI Key

WHTUSNIUKHUYQX-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CC12CCC(C)(C(=O)C1)C2(C)C

Molecular Weight¹

166.26

CAS

10309-50-9

Other Names

• 1,4,7,7-Tetramethylbicyclo[2.2.1]heptan-2-one
• 4-Methylcamphor
• 2-Norbornanone, 1,4,7,7-tetramethyl-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[183.91; 575.86]	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			-2.20320e+02
Coefficient B			2.02198e+00
Coefficient C			-2.26700e-03
Coefficient D			1.04120e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.91	J/mol×K	273.00	Calculated Property
Cp,gas	257.38	J/mol×K	353.78	Calculated Property
Cp,gas	315.69	J/mol×K	434.56	Calculated Property
Cp,gas	362.12	J/mol×K	515.33	Calculated Property
Cp,gas	399.98	J/mol×K	596.11	Calculated Property
Cp,gas	432.56	J/mol×K	676.89	Calculated Property
Cp,gas	463.14	J/mol×K	757.67	Calculated Property
Cp,gas	495.02	J/mol×K	838.44	Calculated Property
Cp,gas	531.50	J/mol×K	919.22	Calculated Property
Cp,gas	575.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-2-one, 1,4,7,7-tetramethyl-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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