Chemical Properties of [2-(dipropylamino)-2-oxoethyl] benzoate

[2-(dipropylamino)-2-oxoethyl] benzoate

InChI
InChI=1S/C15H21NO3/c1-3-10-16(11-4-2)14(17)12-19-15(18)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChI Key
COTRONQEHWUCRV-UHFFFAOYSA-N
Formula
C15H21NO3
SMILES
CCCN(CCC)C(=O)COC(=O)c1ccccc1
Molecular Weight1
263.34
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Physical Properties

Property Value Unit Source
ω 0.7580 Relay (1.0) Calculated Property
Δfgas -494.51 kJ/mol Relay (1.0) Calculated Property
Δfus 36.05 kJ/mol Joback Calculated Property
Δvap 88.35 kJ/mol Relay (1.0) Calculated Property
IE 8.50 eV Relay (1.0) Calculated Property
log10WS -2.38 Aq. Solubility Prediction
logPoct/wat 2.492 Crippen Calculated Property
McVol 217.440 ml/mol McGowan Calculated Property
Pc 2029.06 kPa Joback Calculated Property
Tboil 599.57 K Relay (1.0) Calculated Property
Tc 801.73 K Relay (1.0) Calculated Property
Tfus 318.01 K Relay (1.0) Calculated Property
Vc 0.795 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [606.84; 685.18] J/mol×K [711.88; 914.00] Show Hide
Cp,gas 606.84 J/mol×K 711.88 Joback Calculated Property
Cp,gas 622.25 J/mol×K 745.57 Joback Calculated Property
Cp,gas 636.67 J/mol×K 779.25 Joback Calculated Property
Cp,gas 650.13 J/mol×K 812.94 Joback Calculated Property
Cp,gas 662.69 J/mol×K 846.63 Joback Calculated Property
Cp,gas 674.36 J/mol×K 880.32 Joback Calculated Property
Cp,gas 685.18 J/mol×K 914.00 Joback Calculated Property

Similar Compounds

[2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(azetidin-1-yl)-2-oxoethyl] benzoate. (2-oxo-2-piperidin-1-ylethyl) benzoate. [2-(azepan-1-yl)-2-oxoethyl] benzoate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. (1-diethylamino-1-oxopropan-2-yl) benzoate. [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate.

Find more compounds similar to [2-(dipropylamino)-2-oxoethyl] benzoate.

Sources

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