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
ΔfG° -52.27 kJ/mol Joback Calculated Property
ΔfH°gas -565.74 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.19 kJ/mol Joback Calculated Property
ΔvapH° 88.20 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 1741.91 kPa Joback Calculated Property
Tboil 604.37 K Relay (1.0) Calculated Property
Tc 807.40 K Relay (1.0) Calculated Property
Tfus 317.65 K Aq. Solubility Prediction
Vc 0.892 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [718.62; 801.62] J/mol×K [756.76; 961.14] Show Hide
Cp,gas 718.62 J/mol×K 756.76 Joback Calculated Property
Cp,gas 735.07 J/mol×K 790.82 Joback Calculated Property
Cp,gas 750.41 J/mol×K 824.89 Joback Calculated Property
Cp,gas 764.70 J/mol×K 858.95 Joback Calculated Property
Cp,gas 777.96 J/mol×K 893.01 Joback Calculated Property
Cp,gas 790.26 J/mol×K 927.07 Joback Calculated Property
Cp,gas 801.62 J/mol×K 961.14 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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