Chemical Properties of (1-diethylamino-1-oxopropan-2-yl) benzoate

(1-diethylamino-1-oxopropan-2-yl) benzoate

InChI
InChI=1S/C14H19NO3/c1-4-15(5-2)13(16)11(3)18-14(17)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChI Key
BZZFPIRKNVWTKJ-UHFFFAOYSA-N
Formula
C14H19NO3
SMILES
CCN(CC)C(=O)C(C)OC(=O)c1ccccc1
Molecular Weight1
249.31
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Physical Properties

Property Value Unit Source
ω 0.6544 Relay (1.0) Calculated Property
ΔfH°gas -516.71 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.52 kJ/mol Joback Calculated Property
ΔvapH° 83.00 kJ/mol Relay (1.0) Calculated Property
IE 8.51 eV Relay (1.0) Calculated Property
log10WS -2.10 Aq. Solubility Prediction
logPoct/wat 2.100 Crippen Calculated Property
McVol 203.350 ml/mol McGowan Calculated Property
Pc 2149.31 kPa Joback Calculated Property
Tboil 564.08 K Relay (1.0) Calculated Property
Tc 782.19 K Relay (1.0) Calculated Property
Tfus 326.65 K Aq. Solubility Prediction
Vc 0.744 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [277.67; 658.77] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.33480e+01
Coefficient B1.30196e+00
Coefficient C-7.71500e-04
Coefficient D1.51660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 277.67 J/mol×K 273.00 Calculated Property
Cp,gas 347.41 J/mol×K 353.78 Calculated Property
Cp,gas 409.18 J/mol×K 434.56 Calculated Property
Cp,gas 463.46 J/mol×K 515.33 Calculated Property
Cp,gas 510.74 J/mol×K 596.11 Calculated Property
Cp,gas 551.48 J/mol×K 676.89 Calculated Property
Cp,gas 586.18 J/mol×K 757.67 Calculated Property
Cp,gas 615.31 J/mol×K 838.44 Calculated Property
Cp,gas 639.35 J/mol×K 919.22 Calculated Property
Cp,gas 658.77 J/mol×K 1000.00 Calculated Property

Similar Compounds

[2-(dipropylamino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate. (2-oxo-2-piperidin-1-ylethyl) benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate. [2-(azepan-1-yl)-2-oxoethyl] benzoate. [2-(azetidin-1-yl)-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-morpholin-4-yl-2-oxoethyl) benzoate. [2-(bis(2-methoxyethyl)amino)-2-oxoethyl] benzoate.

Find more compounds similar to (1-diethylamino-1-oxopropan-2-yl) benzoate.

Sources

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