Chemical Properties of Pyrrolidine, 1-(m-methoxycinnamoyl)- (CAS 29647-01-6)

InChI

InChI=1S/C14H17NO2/c1-17-13-6-4-5-12(11-13)7-8-14(16)15-9-2-3-10-15/h4-8,11H,2-3,9-10H2,1H3/b8-7+

InChI Key

LAPTWLCIZWFMJK-BQYQJAHWSA-N

Formula

C14H17NO2

SMILES

COc1cccc(C=CC(=O)N2CCCC2)c1

Molecular Weight¹

231.29

CAS

29647-01-6

Other Names

• 1-(m-Methoxycinnamoyl)pyrrolidine

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.54		Relay (1.0) Calculated Property
logPoct/wat	2.331		Crippen Calculated Property
McVol	186.620	ml/mol	McGowan Calculated Property
Inp	[2364.10; 2364.10]
Inp	2364.10		NIST
Inp	2364.10		NIST
Tboil	625.33	K	Relay (1.0) Calculated Property
Tfus	329.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy 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 Pyrrolidine, 1-(m-methoxycinnamoyl)-.

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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