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
ΔfH°gas -601.85 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.46 kJ/mol Joback Calculated Property
ΔvapH° 92.26 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 2741.15 kPa Joback Calculated Property
Tboil 578.75 K Relay (1.0) Calculated Property
Tc 812.39 K Relay (1.0) Calculated Property
Tfus 375.65 K Aq. Solubility Prediction
Vc 0.654 m3/kmol Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [236.49; 544.07] 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-1.24890e+01
Coefficient B1.07804e+00
Coefficient C-6.40800e-04
Coefficient D1.19320e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 236.49 J/mol×K 273.00 Calculated Property
Cp,gas 293.98 J/mol×K 353.78 Calculated Property
Cp,gas 344.76 J/mol×K 434.56 Calculated Property
Cp,gas 389.21 J/mol×K 515.33 Calculated Property
Cp,gas 427.71 J/mol×K 596.11 Calculated Property
Cp,gas 460.63 J/mol×K 676.89 Calculated Property
Cp,gas 488.35 J/mol×K 757.67 Calculated Property
Cp,gas 511.24 J/mol×K 838.44 Calculated Property
Cp,gas 529.69 J/mol×K 919.22 Calculated Property
Cp,gas 544.07 J/mol×K 1000.00 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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