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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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [477.58; 526.31] J/mol×K [766.62; 992.94] Show Hide
Cp,gas 477.58 J/mol×K 766.62 Joback Calculated Property
Cp,gas 488.05 J/mol×K 804.34 Joback Calculated Property
Cp,gas 497.55 J/mol×K 842.06 Joback Calculated Property
Cp,gas 506.09 J/mol×K 879.78 Joback Calculated Property
Cp,gas 513.71 J/mol×K 917.50 Joback Calculated Property
Cp,gas 520.44 J/mol×K 955.22 Joback Calculated Property
Cp,gas 526.31 J/mol×K 992.94 Joback 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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