Chemical Properties of 1H-Pyrrolizine, hexahydro- (CAS 643-20-9)

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

111.18

CAS

643-20-9

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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

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
log10WS	-1.22		Crippen Calculated Property
logPoct/wat	1.245		Crippen Calculated Property
McVol	97.750	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 1H-Pyrrolizine, hexahydro-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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