Chemical Properties of [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate

[2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate

InChI
InChI=1S/C17H25NO3/c1-13(2)10-18(11-14(3)4)16(19)12-21-17(20)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3
InChI Key
KXYFWLVSYHRZJL-UHFFFAOYSA-N
Formula
C17H25NO3
SMILES
CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccccc1
Molecular Weight1
291.39
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Physical Properties

Property Value Unit Source
ω 0.7677 Relay (1.0) Calculated Property
ΔfH°gas -565.74 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.77 kJ/mol Joback Calculated Property
ΔvapH° 89.64 kJ/mol Relay (1.0) Calculated Property
IE 8.31 eV Relay (1.0) Calculated Property
log10WS -3.56 Aq. Solubility Prediction
logPoct/wat 2.984 Crippen Calculated Property
McVol 245.620 ml/mol McGowan Calculated Property
Pc 1683.79 kPa Joback Calculated Property
Tboil 604.37 K Relay (1.0) Calculated Property
Tc 810.33 K Relay (1.0) Calculated Property
Tfus 317.65 K Aq. Solubility Prediction
Vc 0.894 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 [712.53; 796.43] J/mol×K [738.89; 941.24] Show Hide
Cp,gas 712.53 J/mol×K 738.89 Joback Calculated Property
Cp,gas 729.24 J/mol×K 772.62 Joback Calculated Property
Cp,gas 744.80 J/mol×K 806.34 Joback Calculated Property
Cp,gas 759.26 J/mol×K 840.07 Joback Calculated Property
Cp,gas 772.65 J/mol×K 873.79 Joback Calculated Property
Cp,gas 785.03 J/mol×K 907.52 Joback Calculated Property
Cp,gas 796.43 J/mol×K 941.24 Joback Calculated Property

Similar Compounds

[2-(dipropylamino)-2-oxoethyl] benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(azetidin-1-yl)-2-oxoethyl] benzoate. (2-oxo-2-piperidin-1-ylethyl) benzoate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. [2-(azepan-1-yl)-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. (1-diethylamino-1-oxopropan-2-yl) benzoate.

Find more compounds similar to [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate.

Sources

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