Chemical Properties of [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate

[2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate

InChI
InChI=1S/C15H21NO3/c1-11(2)16(12(3)4)14(17)10-19-15(18)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChI Key
ZWUAUTPCFIIFAS-UHFFFAOYSA-N
Formula
C15H21NO3
SMILES
CC(C)N(C(=O)COC(=O)c1ccccc1)C(C)C
Molecular Weight1
263.34
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Physical Properties

Property Value Unit Source
ω 0.6685 Relay (1.0) Calculated Property
ΔfH°gas -495.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.01 kJ/mol Joback Calculated Property
ΔvapH° 88.95 kJ/mol Relay (1.0) Calculated Property
IE 8.23 eV Relay (1.0) Calculated Property
log10WS -3.34 Aq. Solubility Prediction
logPoct/wat 2.489 Crippen Calculated Property
McVol 217.440 ml/mol McGowan Calculated Property
Pc 2058.62 kPa Joback Calculated Property
Tboil 575.22 K Relay (1.0) Calculated Property
Tc 802.49 K Relay (1.0) Calculated Property
Tfus 378.65 K Aq. Solubility Prediction
Vc 0.780 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 [607.88; 688.31] J/mol×K [711.00; 919.84] Show Hide
Cp,gas 607.88 J/mol×K 711.00 Joback Calculated Property
Cp,gas 623.84 J/mol×K 745.81 Joback Calculated Property
Cp,gas 638.73 J/mol×K 780.61 Joback Calculated Property
Cp,gas 652.58 J/mol×K 815.42 Joback Calculated Property
Cp,gas 665.44 J/mol×K 850.23 Joback Calculated Property
Cp,gas 677.33 J/mol×K 885.04 Joback Calculated Property
Cp,gas 688.31 J/mol×K 919.84 Joback Calculated Property

Similar Compounds

(2-diethylamino-2-oxoethyl) benzoate. [2-(dipropylamino)-2-oxoethyl] benzoate. [2-(azetidin-1-yl)-2-oxoethyl] benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. [2-oxo-2-(propan-2-ylamino)ethyl] benzoate. (2-morpholin-4-yl-2-oxoethyl) benzoate. [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate. [2-(acetyl-methylamino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(bis(2-methoxyethyl)amino)-2-oxoethyl] benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. [2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate.

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

Sources

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