Chemical Properties of [2-(azetidin-1-yl)-2-oxoethyl] benzoate

[2-(azetidin-1-yl)-2-oxoethyl] benzoate

InChI
InChI=1S/C12H13NO3/c14-11(13-7-4-8-13)9-16-12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key
RSDMFNVRFBIYRK-UHFFFAOYSA-N
Formula
C12H13NO3
SMILES
O=C(OCC(=O)N1CCC1)c1ccccc1
Molecular Weight1
219.24
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Physical Properties

Property Value Unit Source
ω 0.6499 Relay (1.0) Calculated Property
ΔfH°gas -393.51 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 86.34 kJ/mol Relay (1.0) Calculated Property
IE 8.84 eV Relay (1.0) Calculated Property
log10WS -1.61 Aq. Solubility Prediction
logPoct/wat 1.076 Crippen Calculated Property
McVol 164.310 ml/mol McGowan Calculated Property
Pc 2510.18 kPa Relay (1.0-beta) Calculated Property
Tboil 590.16 K Relay (1.0) Calculated Property
Tc 832.61 K Relay (1.0) Calculated Property
Tfus 347.65 K Aq. Solubility Prediction
Vc 0.615 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

[2-(dipropylamino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. (2-oxo-2-piperidin-1-ylethyl) benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(azepan-1-yl)-2-oxoethyl] benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. [2-(bis(2-methoxyethyl)amino)-2-oxoethyl] benzoate. (2-morpholin-4-yl-2-oxoethyl) benzoate. (2-oxo-2-propylaminoethyl) benzoate.

Find more compounds similar to [2-(azetidin-1-yl)-2-oxoethyl] benzoate.

Sources

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