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

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

InChI
InChI=1S/C14H17NO5/c1-3-19-13(17)9-15(2)12(16)10-20-14(18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChI Key
VPGYQOPHCDIWSQ-UHFFFAOYSA-N
Formula
C14H17NO5
SMILES
CCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1
Molecular Weight1
279.29
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Physical Properties

Property Value Unit Source
ω 0.7718 Relay (1.0) Calculated Property
ΔfH°gas -767.75 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.41 kJ/mol Joback Calculated Property
ΔvapH° 97.71 kJ/mol Relay (1.0) Calculated Property
IE 8.71 eV Relay (1.0) Calculated Property
log10WS -1.67 Aq. Solubility Prediction
logPoct/wat 0.865 Crippen Calculated Property
McVol 210.790 ml/mol McGowan Calculated Property
Pc 2143.35 kPa Joback Calculated Property
Tboil 606.88 K Relay (1.0) Calculated Property
Tc 816.74 K Relay (1.0) Calculated Property
Tfus 312.65 K Aq. Solubility Prediction
Vc 0.779 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [587.55; 652.99] J/mol×K [729.35; 934.77] Show Hide
Cp,gas 587.55 J/mol×K 729.35 Joback Calculated Property
Cp,gas 601.05 J/mol×K 763.59 Joback Calculated Property
Cp,gas 613.48 J/mol×K 797.82 Joback Calculated Property
Cp,gas 624.87 J/mol×K 832.06 Joback Calculated Property
Cp,gas 635.23 J/mol×K 866.29 Joback Calculated Property
Cp,gas 644.60 J/mol×K 900.53 Joback Calculated Property
Cp,gas 652.99 J/mol×K 934.77 Joback Calculated Property

Similar Compounds

(2-morpholin-4-yl-2-oxoethyl) benzoate. [2-(bis(2-methoxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. [2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(azetidin-1-yl)-2-oxoethyl] benzoate. [2-(acetyl-methylamino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. [2-(dipropylamino)-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. [2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate. [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate. (1-diethylamino-1-oxopropan-2-yl) benzoate.

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

Sources

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