Chemical Properties of Aziridine, 1-phenyl- (CAS 696-18-4)

InChI

InChI=1S/C8H9N/c1-2-4-8(5-3-1)9-6-7-9/h1-5H,6-7H2

InChI Key

YKNKBBMRKMLLJS-UHFFFAOYSA-N

Formula

C8H9N

SMILES

c1ccc(N2CC2)cc1

Molecular Weight¹

119.16

CAS

696-18-4

Other Names

• N-Phenylaziridine
• N-Phenylethylenimine
• 1-Phenylaziridine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• IE : Ionization energy (eV).
• 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
PAff	926.50	kJ/mol	NIST
BasG	895.70	kJ/mol	NIST
IE	[8.00; 8.19]	eV
IE	8.00 ± 0.10	eV	NIST
IE	8.00	eV	NIST
IE	8.19 ± 0.06	eV	NIST
IE	8.10	eV	NIST
log10WS	-1.27		Crippen Calculated Property
logPoct/wat	1.507		Crippen Calculated Property
McVol	98.940	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Aziridine, 1-phenyl-.

Sources

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

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