Chemical Properties of 1H-Pyrrolizine, hexahydro-

InChI

InChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2

InChI Key

ADRDEXBBJTUCND-UHFFFAOYSA-N

Formula

C7H13N

SMILES

C1CC2CCCN2C1

Molecular Weight¹

111.19

Other Names

• Hexahydropyrrolizine
• Pyrrolizidine
• 1-Azabicyclo[3.3.0]octane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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
ΔcH°liquid	-4564.20 ± 3.00	kJ/mol	NIST
ΔfH°gas	-3.90	kJ/mol	NIST
ΔfH°liquid	-48.30 ± 3.10	kJ/mol	NIST
ΔvapH°	[44.40; 44.40]	kJ/mol
ΔvapH°	44.40	kJ/mol	NIST
ΔvapH°	44.40	kJ/mol	NIST
IE	7.78	eV	Relay (1.0) Calculated Property
logPoct/wat	1.245		Crippen Calculated Property
McVol	97.750	ml/mol	McGowan Calculated Property
Tboil	411.00	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 1H-Pyrrolizine, hexahydro-.

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

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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