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

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [248.06; 573.72] 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-1.45570e+01
Coefficient B1.14002e+00
Coefficient C-6.89900e-04
Coefficient D1.38160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 248.06 J/mol×K 273.00 Calculated Property
Cp,gas 308.53 J/mol×K 353.78 Calculated Property
Cp,gas 361.90 J/mol×K 434.56 Calculated Property
Cp,gas 408.63 J/mol×K 515.33 Calculated Property
Cp,gas 449.13 J/mol×K 596.11 Calculated Property
Cp,gas 483.86 J/mol×K 676.89 Calculated Property
Cp,gas 513.25 J/mol×K 757.67 Calculated Property
Cp,gas 537.73 J/mol×K 838.44 Calculated Property
Cp,gas 557.74 J/mol×K 919.22 Calculated Property
Cp,gas 573.72 J/mol×K 1000.00 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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