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

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [341.00; 814.08] 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-2.77570e+01
Coefficient B1.59288e+00
Coefficient C-9.37900e-04
Coefficient D1.86860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 341.00 J/mol×K 273.00 Calculated Property
Cp,gas 426.66 J/mol×K 353.78 Calculated Property
Cp,gas 502.66 J/mol×K 434.56 Calculated Property
Cp,gas 569.60 J/mol×K 515.33 Calculated Property
Cp,gas 628.08 J/mol×K 596.11 Calculated Property
Cp,gas 678.67 J/mol×K 676.89 Calculated Property
Cp,gas 721.98 J/mol×K 757.67 Calculated Property
Cp,gas 758.59 J/mol×K 838.44 Calculated Property
Cp,gas 789.09 J/mol×K 919.22 Calculated Property
Cp,gas 814.08 J/mol×K 1000.00 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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