Chemical Properties of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate

[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate

InChI
InChI=1S/C14H17NO5/c1-3-19-13(17)9-15(2)12(16)10-20-14(18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChI Key
VPGYQOPHCDIWSQ-UHFFFAOYSA-N
Formula
C14H17NO5
SMILES
CCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1
Molecular Weight1
279.29
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Physical Properties

Property Value Unit Source
ω 0.7718 Relay (1.0) Calculated Property
ΔfH°gas -767.75 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.41 kJ/mol Joback Calculated Property
ΔvapH° 97.71 kJ/mol Relay (1.0) Calculated Property
IE 8.71 eV Relay (1.0) Calculated Property
log10WS -1.67 Aq. Solubility Prediction
logPoct/wat 0.865 Crippen Calculated Property
McVol 210.790 ml/mol McGowan Calculated Property
Pc 2143.35 kPa Joback Calculated Property
Tboil 606.88 K Relay (1.0) Calculated Property
Tc 816.74 K Relay (1.0) Calculated Property
Tfus 312.65 K Aq. Solubility Prediction
Vc 0.779 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 [294.33; 666.34] 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 A3.74300e+00
Coefficient B1.24124e+00
Coefficient C-6.73700e-04
Coefficient D9.50600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 294.33 J/mol×K 273.00 Calculated Property
Cp,gas 362.76 J/mol×K 353.78 Calculated Property
Cp,gas 423.71 J/mol×K 434.56 Calculated Property
Cp,gas 477.49 J/mol×K 515.33 Calculated Property
Cp,gas 524.40 J/mol×K 596.11 Calculated Property
Cp,gas 564.73 J/mol×K 676.89 Calculated Property
Cp,gas 598.79 J/mol×K 757.67 Calculated Property
Cp,gas 626.88 J/mol×K 838.44 Calculated Property
Cp,gas 649.30 J/mol×K 919.22 Calculated Property
Cp,gas 666.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

(2-morpholin-4-yl-2-oxoethyl) benzoate. [2-(bis(2-methoxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. [2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(azetidin-1-yl)-2-oxoethyl] benzoate. [2-(acetyl-methylamino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. [2-(dipropylamino)-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. [2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate. [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate. (1-diethylamino-1-oxopropan-2-yl) benzoate.

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

Sources

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