Chemical Properties of Aziridinone, 1,3-bis(1,1-dimethylethyl)- (CAS 14387-89-4)

InChI

InChI=1S/C10H19NO/c1-9(2,3)7-8(12)11(7)10(4,5)6/h7H,1-6H3

InChI Key

CEPIDWHUQBLHJH-UHFFFAOYSA-N

Formula

C10H19NO

SMILES

CC(C)(C)C1C(=O)N1C(C)(C)C

Molecular Weight¹

169.26

CAS

14387-89-4

Other Names

• 2-Aziridinone, 1,3-di-tert-butyl-
• 1,3-Di-tert-butylaziridinone
• Aziridinone, 1,3-di-tert-butyl-

• IE : Ionization energy (eV).
• 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
IE	[7.25; 8.21]	eV
IE	7.25	eV	NIST
IE	8.21	eV	NIST
logPoct/wat	2.042		Crippen Calculated Property
McVol	152.450	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 Aziridinone, 1,3-bis(1,1-dimethylethyl)-.

Sources

• 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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