Chemical Properties of Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methyl- (CAS 702-67-0)

InChI

InChI=1S/C10H16O2/c1-9-2-5-10(6-3-9,7-4-9)8(11)12/h2-7H2,1H3,(H,11,12)

InChI Key

VAIOYMYTWWCODC-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC12CCC(C(=O)O)(CC1)CC2

Molecular Weight¹

168.23

CAS

702-67-0

Other Names

• 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid

• 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).
• T_boil : Normal Boiling Point 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 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	[166.72; 523.71]	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			-2.12310e+02
Coefficient B			1.87102e+00
Coefficient C			-2.00560e-03
Coefficient D			8.70600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.72	J/mol×K	273.00	Calculated Property
Cp,gas	237.15	J/mol×K	353.78	Calculated Property
Cp,gas	293.46	J/mol×K	434.56	Calculated Property
Cp,gas	338.41	J/mol×K	515.33	Calculated Property
Cp,gas	374.76	J/mol×K	596.11	Calculated Property
Cp,gas	405.24	J/mol×K	676.89	Calculated Property
Cp,gas	432.63	J/mol×K	757.67	Calculated Property
Cp,gas	459.67	J/mol×K	838.44	Calculated Property
Cp,gas	489.11	J/mol×K	919.22	Calculated Property
Cp,gas	523.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octane-1-carboxylic acid, 4-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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