Chemical Properties of [2-(acetyl-methylamino)-2-oxoethyl] benzoate

[2-(acetyl-methylamino)-2-oxoethyl] benzoate

InChI
InChI=1S/C12H13NO4/c1-9(14)13(2)11(15)8-17-12(16)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key
JQUIGGQYRQVIIE-UHFFFAOYSA-N
Formula
C12H13NO4
SMILES
CC(=O)N(C)C(=O)COC(=O)c1ccccc1
Molecular Weight1
235.24
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Physical Properties

Property Value Unit Source
ω 0.6791 Relay (1.0) Calculated Property
ΔfG° -218.41 kJ/mol Joback Calculated Property
ΔfH°gas -601.85 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.88 kJ/mol Joback Calculated Property
ΔvapH° 91.18 kJ/mol Relay (1.0) Calculated Property
IE 9.17 eV Relay (1.0) Calculated Property
log10WS -0.49 Aq. Solubility Prediction
logPoct/wat 0.848 Crippen Calculated Property
McVol 176.740 ml/mol McGowan Calculated Property
Pc 2862.74 kPa Joback Calculated Property
Tboil 578.75 K Relay (1.0) Calculated Property
Tc 809.02 K Relay (1.0) Calculated Property
Tfus 375.65 K Aq. Solubility Prediction
Vc 0.652 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [464.89; 526.96] J/mol×K [697.11; 913.89] Show Hide
Cp,gas 464.89 J/mol×K 697.11 Joback Calculated Property
Cp,gas 477.47 J/mol×K 733.24 Joback Calculated Property
Cp,gas 489.11 J/mol×K 769.37 Joback Calculated Property
Cp,gas 499.84 J/mol×K 805.50 Joback Calculated Property
Cp,gas 509.71 J/mol×K 841.63 Joback Calculated Property
Cp,gas 518.74 J/mol×K 877.76 Joback Calculated Property
Cp,gas 526.96 J/mol×K 913.89 Joback Calculated Property

Similar Compounds

(2-diethylamino-2-oxoethyl) benzoate. (2-dimethylamino-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-(azetidin-1-yl)-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. (2-morpholin-4-yl-2-oxoethyl) benzoate. [2-(bis(2-methoxyethyl)amino)-2-oxoethyl] benzoate. [2-(dipropylamino)-2-oxoethyl] benzoate. [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate. (2-ethylamino-2-oxoethyl) benzoate. (2-acetamido-2-oxoethyl) benzoate. [2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate. [2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate.

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

Sources

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