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

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

InChI
InChI=1S/C11H12N2O4/c12-9(14)6-13-10(15)7-17-11(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14)(H,13,15)
InChI Key
XYGUXAGVJDBSBP-UHFFFAOYSA-N
Formula
C11H12N2O4
SMILES
NC(=O)CNC(=O)COC(=O)c1ccccc1
Molecular Weight1
236.23
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Physical Properties

Property Value Unit Source
ω 0.8104 Relay (1.0) Calculated Property
ΔfH°gas -586.06 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.15 kJ/mol Joback Calculated Property
ΔvapH° 98.45 kJ/mol Relay (1.0) Calculated Property
IE 9.17 eV Relay (1.0) Calculated Property
log10WS -1.50 Aq. Solubility Prediction
logPoct/wat -0.555 Crippen Calculated Property
McVol 172.630 ml/mol McGowan Calculated Property
Pc 3295.37 kPa Joback Calculated Property
Tboil 600.32 K Relay (1.0) Calculated Property
Tc 873.34 K Relay (1.0) Calculated Property
Tfus 424.65 K Aq. Solubility Prediction
Vc 0.618 m3/kmol Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [236.32; 527.31] 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 A4.39200e+00
Coefficient B9.97200e-01
Coefficient C-5.65800e-04
Coefficient D9.15200e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 236.32 J/mol×K 273.00 Calculated Property
Cp,gas 290.42 J/mol×K 353.78 Calculated Property
Cp,gas 338.40 J/mol×K 434.56 Calculated Property
Cp,gas 380.55 J/mol×K 515.33 Calculated Property
Cp,gas 417.16 J/mol×K 596.11 Calculated Property
Cp,gas 448.53 J/mol×K 676.89 Calculated Property
Cp,gas 474.94 J/mol×K 757.67 Calculated Property
Cp,gas 496.68 J/mol×K 838.44 Calculated Property
Cp,gas 514.04 J/mol×K 919.22 Calculated Property
Cp,gas 527.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

(2-ethylamino-2-oxoethyl) benzoate. [2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate. [2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate. (2-oxo-2-propylaminoethyl) benzoate. (2-methylamino-2-oxoethyl) benzoate. [2-oxo-2-(propan-2-ylamino)ethyl] benzoate. 2-(Benzoyloxy)-N-butylacetamide. (2-acetamido-2-oxoethyl) benzoate. [2-(tert-butylamino)-2-oxoethyl] benzoate. [2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(cyclohexylamino)-2-oxoethyl] benzoate. [2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate. [2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate. (2-morpholin-4-yl-2-oxoethyl) benzoate.

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

Sources

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