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

(2-acetamido-2-oxoethyl) benzoate

InChI
InChI=1S/C11H11NO4/c1-8(13)12-10(14)7-16-11(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)
InChI Key
NZDAAPUTURAWII-UHFFFAOYSA-N
Formula
C11H11NO4
SMILES
CC(=O)NC(=O)COC(=O)c1ccccc1
Molecular Weight1
221.21
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Physical Properties

Property Value Unit Source
ω 0.7031 Relay (1.0) Calculated Property
ΔfG° -324.67 kJ/mol Joback Calculated Property
ΔfH°gas -614.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.95 kJ/mol Joback Calculated Property
ΔvapH° 89.93 kJ/mol Relay (1.0) Calculated Property
IE 9.13 eV Relay (1.0) Calculated Property
log10WS -2.40 Aq. Solubility Prediction
logPoct/wat 0.506 Crippen Calculated Property
McVol 162.650 ml/mol McGowan Calculated Property
Pc 3089.85 kPa Joback Calculated Property
Tboil 577.32 K Relay (1.0) Calculated Property
Tc 827.47 K Relay (1.0) Calculated Property
Tfus 377.65 K Aq. Solubility Prediction
Vc 0.591 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [215.95; 491.34] 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 A-2.09900e+00
Coefficient B9.35320e-01
Coefficient C-5.22400e-04
Coefficient D8.05200e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 215.95 J/mol×K 273.00 Calculated Property
Cp,gas 266.98 J/mol×K 353.78 Calculated Property
Cp,gas 312.31 J/mol×K 434.56 Calculated Property
Cp,gas 352.19 J/mol×K 515.33 Calculated Property
Cp,gas 386.88 J/mol×K 596.11 Calculated Property
Cp,gas 416.63 J/mol×K 676.89 Calculated Property
Cp,gas 441.70 J/mol×K 757.67 Calculated Property
Cp,gas 462.33 J/mol×K 838.44 Calculated Property
Cp,gas 478.80 J/mol×K 919.22 Calculated Property
Cp,gas 491.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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