Chemical Properties of 7-Azabicyclo[2.2.1]heptane-7-carboxylic acid, methyl ester

InChI

InChI=1S/C8H13NO2/c1-11-8(10)9-6-2-3-7(9)5-4-6/h6-7H,2-5H2,1H3

InChI Key

VYMRJKGRCMURSL-UHFFFAOYSA-N

Formula

C8H13NO2

SMILES

COC(=O)N1C2CCC1CC2

Molecular Weight¹

155.20

• Δ_fH°_gas : Enthalpy of formation 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

Property	Value	Unit	Source
ΔfH°gas	-365.99	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.84	kJ/mol	Relay (1.0) Calculated Property
IE	[8.30; 8.93]	eV
IE	8.30	eV	NIST
IE	8.93	eV	NIST
logPoct/wat	1.380		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Tboil	502.59	K	Relay (1.0) Calculated Property

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.

Similar Compounds

Find more compounds similar to 7-Azabicyclo[2.2.1]heptane-7-carboxylic acid, methyl ester.

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
• McGowan Method
• NIST Webbook

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