Chemical Properties of 3-Methyl-2-butenoic acid, morpholide

InChI

InChI=1S/C9H15NO2/c1-8(2)7-9(11)10-3-5-12-6-4-10/h7H,3-6H2,1-2H3

InChI Key

LWMJXIOGNGBCNT-UHFFFAOYSA-N

Formula

C9H15NO2

SMILES

CC(C)=CC(=O)N1CCOCC1

Molecular Weight¹

169.22

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

Physical Properties

Property	Value	Unit	Source
IE	8.87	eV	Relay (1.0) Calculated Property
logPoct/wat	0.811		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Inp	[1396.00; 1396.00]
Inp	1396.00		NIST
Inp	1396.00		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 3-Methyl-2-butenoic acid, morpholide.

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

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