Chemical Properties of [2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate

[2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate

InChI
InChI=1S/C15H17NO3/c1-3-10-16(11-4-2)14(17)12-19-15(18)13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChI Key
KIBXYDHXHWRNTP-UHFFFAOYSA-N
Formula
C15H17NO3
SMILES
C=CCN(CC=C)C(=O)COC(=O)c1ccccc1
Molecular Weight1
259.31
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Physical Properties

Property Value Unit Source
ω 0.6532 Relay (1.0) Calculated Property
ΔfH°gas -298.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.08 kJ/mol Joback Calculated Property
ΔvapH° 89.22 kJ/mol Relay (1.0) Calculated Property
IE 8.76 eV Relay (1.0) Calculated Property
log10WS -2.56 Aq. Solubility Prediction
logPoct/wat 2.044 Crippen Calculated Property
McVol 208.840 ml/mol McGowan Calculated Property
Pc 2110.00 kPa Joback Calculated Property
Tboil 620.42 K Relay (1.0) Calculated Property
Tc 813.51 K Relay (1.0) Calculated Property
Tfus 315.65 K Aq. Solubility Prediction
Vc 0.714 m3/kmol Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [279.58; 652.80] 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-2.85570e+01
Coefficient B1.35100e+00
Coefficient C-8.68500e-04
Coefficient D1.98860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 279.58 J/mol×K 273.00 Calculated Property
Cp,gas 349.50 J/mol×K 353.78 Calculated Property
Cp,gas 410.84 J/mol×K 434.56 Calculated Property
Cp,gas 464.23 J/mol×K 515.33 Calculated Property
Cp,gas 510.29 J/mol×K 596.11 Calculated Property
Cp,gas 549.67 J/mol×K 676.89 Calculated Property
Cp,gas 582.97 J/mol×K 757.67 Calculated Property
Cp,gas 610.85 J/mol×K 838.44 Calculated Property
Cp,gas 633.91 J/mol×K 919.22 Calculated Property
Cp,gas 652.80 J/mol×K 1000.00 Calculated Property

Similar Compounds

(2-diethylamino-2-oxoethyl) benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-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-methylpropyl)amino)-2-oxoethyl] benzoate. [2-(dipropylamino)-2-oxoethyl] benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. [2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate. (2-oxo-2-piperidin-1-ylethyl) benzoate. [2-(acetyl-methylamino)-2-oxoethyl] benzoate.

Find more compounds similar to [2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate.

Sources

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