Chemical Properties of cis-3-Aminobicyclo[2.2.2]octan-2-ol (CAS 17997-65-8)

InChI

InChI=1S/C8H15NO/c9-7-5-1-3-6(4-2-5)8(7)10/h5-8,10H,1-4,9H2/t5?,6?,7-,8+/m1/s1

InChI Key

QFDAEESARGPBBO-CRYROECRSA-N

Formula

C8H15NO

SMILES

NC1C2CCC(CC2)C1O

Molecular Weight¹

141.21

CAS

17997-65-8

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.94; 403.86]	J/mol×K	[559.83; 767.31]
Cp,gas	324.94	J/mol×K	559.83	Joback Calculated Property
Cp,gas	340.26	J/mol×K	594.41	Joback Calculated Property
Cp,gas	354.65	J/mol×K	628.99	Joback Calculated Property
Cp,gas	368.16	J/mol×K	663.57	Joback Calculated Property
Cp,gas	380.83	J/mol×K	698.15	Joback Calculated Property
Cp,gas	392.72	J/mol×K	732.73	Joback Calculated Property
Cp,gas	403.86	J/mol×K	767.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-3-Aminobicyclo[2.2.2]octan-2-ol.

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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