Chemical Properties of (2-ethylamino-2-oxoethyl) benzoate

(2-ethylamino-2-oxoethyl) benzoate

InChI
InChI=1S/C11H13NO3/c1-2-12-10(13)8-15-11(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChI Key
FPWKJKWOCSENMO-UHFFFAOYSA-N
Formula
C11H13NO3
SMILES
CCNC(=O)COC(=O)c1ccccc1
Molecular Weight1
207.23
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Physical Properties

Property Value Unit Source
ω 0.6542 Relay (1.0) Calculated Property
ΔfH°gas -443.36 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.35 kJ/mol Joback Calculated Property
ΔvapH° 83.64 kJ/mol Relay (1.0) Calculated Property
IE 8.94 eV Relay (1.0) Calculated Property
log10WS -2.24 Aq. Solubility Prediction
logPoct/wat 0.979 Crippen Calculated Property
McVol 161.080 ml/mol McGowan Calculated Property
Pc 2884.30 kPa Joback Calculated Property
Tboil 570.28 K Relay (1.0) Calculated Property
Tc 792.39 K Relay (1.0) Calculated Property
Tfus 348.36 K Relay (1.0) Calculated Property
Vc 0.585 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 [215.02; 502.32] 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-9.45800e+00
Coefficient B9.63320e-01
Coefficient C-5.41100e-04
Coefficient D8.95600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 215.02 J/mol×K 273.00 Calculated Property
Cp,gas 267.59 J/mol×K 353.78 Calculated Property
Cp,gas 314.33 J/mol×K 434.56 Calculated Property
Cp,gas 355.53 J/mol×K 515.33 Calculated Property
Cp,gas 391.48 J/mol×K 596.11 Calculated Property
Cp,gas 422.46 J/mol×K 676.89 Calculated Property
Cp,gas 448.75 J/mol×K 757.67 Calculated Property
Cp,gas 470.63 J/mol×K 838.44 Calculated Property
Cp,gas 488.40 J/mol×K 919.22 Calculated Property
Cp,gas 502.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

(2-oxo-2-propylaminoethyl) benzoate. [2-oxo-2-(propan-2-ylamino)ethyl] benzoate. (2-methylamino-2-oxoethyl) benzoate. [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] benzoate. (2-acetamido-2-oxoethyl) benzoate. 2-(Benzoyloxy)-N-butylacetamide. [2-(tert-butylamino)-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(acetyl-methylamino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. [2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl] benzoate.

Find more compounds similar to (2-ethylamino-2-oxoethyl) benzoate.

Sources

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