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

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

InChI
InChI=1S/C12H15NO4/c1-13(7-8-14)11(15)9-17-12(16)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3
InChI Key
WRKNTBMMMVTKKA-UHFFFAOYSA-N
Formula
C12H15NO4
SMILES
CN(CCO)C(=O)COC(=O)c1ccccc1
Molecular Weight1
237.26
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Physical Properties

Property Value Unit Source
ω 0.8528 Relay (1.0) Calculated Property
ΔfH°gas -605.03 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.95 kJ/mol Joback Calculated Property
ΔvapH° 100.97 kJ/mol Relay (1.0) Calculated Property
IE 9.08 eV Relay (1.0) Calculated Property
log10WS -1.09 Aq. Solubility Prediction
logPoct/wat 0.294 Crippen Calculated Property
McVol 181.040 ml/mol McGowan Calculated Property
Pc 2826.33 kPa Joback Calculated Property
Tboil 612.94 K Relay (1.0) Calculated Property
Tc 846.56 K Relay (1.0) Calculated Property
Tfus 342.58 K Relay (1.0) Calculated Property
Vc 0.652 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 [499.29; 556.68] J/mol×K [717.55; 914.48] Show Hide
Cp,gas 499.29 J/mol×K 717.55 Joback Calculated Property
Cp,gas 510.80 J/mol×K 750.37 Joback Calculated Property
Cp,gas 521.49 J/mol×K 783.19 Joback Calculated Property
Cp,gas 531.40 J/mol×K 816.01 Joback Calculated Property
Cp,gas 540.54 J/mol×K 848.83 Joback Calculated Property
Cp,gas 548.96 J/mol×K 881.65 Joback Calculated Property
Cp,gas 556.68 J/mol×K 914.48 Joback Calculated Property

Similar Compounds

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

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

Sources

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