Chemical Properties of N-Isobutylformamide (CAS 6281-96-5)

InChI

InChI=1S/C5H11NO/c1-5(2)3-6-4-7/h4-5H,3H2,1-2H3,(H,6,7)

InChI Key

XCTTVNSXEHWZBI-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CC(C)CN=CO

Molecular Weight¹

101.15

CAS

6281-96-5

Other Names

• Formamide, N-isobutyl-

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	9.57	eV	Relay (1.0) Calculated Property
logPoct/wat	1.229		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Inp	[1014.00; 1014.00]
Inp	1014.00		NIST
Inp	1014.00		NIST
I	[1759.00; 1759.00]
I	1759.00		NIST
I	1759.00		NIST

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 N-Isobutylformamide.

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
• Joback Method
• McGowan Method
• NIST Webbook

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