Chemical Properties of [2-oxo-2-(propan-2-ylamino)ethyl] benzoate

[2-oxo-2-(propan-2-ylamino)ethyl] benzoate

InChI
InChI=1S/C12H15NO3/c1-9(2)13-11(14)8-16-12(15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChI Key
FUWATACATASMHP-UHFFFAOYSA-N
Formula
C12H15NO3
SMILES
CC(C)NC(=O)COC(=O)c1ccccc1
Molecular Weight1
221.26
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Physical Properties

Property Value Unit Source
ω 0.6627 Relay (1.0) Calculated Property
ΔfG° -113.32 kJ/mol Joback Calculated Property
ΔfH°gas -466.57 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.84 kJ/mol Joback Calculated Property
ΔvapH° 83.72 kJ/mol Relay (1.0) Calculated Property
IE 8.66 eV Relay (1.0) Calculated Property
log10WS -2.73 Aq. Solubility Prediction
logPoct/wat 1.368 Crippen Calculated Property
McVol 175.170 ml/mol McGowan Calculated Property
Pc 2744.03 kPa Joback Calculated Property
Tboil 565.15 K Relay (1.0) Calculated Property
Tc 790.24 K Relay (1.0) Calculated Property
Tfus 402.65 K Aq. Solubility Prediction
Vc 0.637 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [463.56; 531.94] J/mol×K [680.53; 897.17] Show Hide
Cp,gas 463.56 J/mol×K 680.53 Joback Calculated Property
Cp,gas 477.22 J/mol×K 716.64 Joback Calculated Property
Cp,gas 489.94 J/mol×K 752.74 Joback Calculated Property
Cp,gas 501.74 J/mol×K 788.85 Joback Calculated Property
Cp,gas 512.66 J/mol×K 824.95 Joback Calculated Property
Cp,gas 522.72 J/mol×K 861.06 Joback Calculated Property
Cp,gas 531.94 J/mol×K 897.17 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to [2-oxo-2-(propan-2-ylamino)ethyl] benzoate.

Sources

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