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

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

InChI
InChI=1S/C15H21NO5/c1-19-10-8-16(9-11-20-2)14(17)12-21-15(18)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChI Key
LJCFRMUKLSCNKV-UHFFFAOYSA-N
Formula
C15H21NO5
SMILES
COCCN(CCOC)C(=O)COC(=O)c1ccccc1
Molecular Weight1
295.33
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Physical Properties

Property Value Unit Source
ω 0.8326 Relay (1.0) Calculated Property
Δfgas -705.64 kJ/mol Relay (1.0) Calculated Property
Δfus 40.01 kJ/mol Joback Calculated Property
Δvap 95.60 kJ/mol Relay (1.0) Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
log10WS -1.57 Aq. Solubility Prediction
logPoct/wat 0.965 Crippen Calculated Property
McVol 229.180 ml/mol McGowan Calculated Property
Pc 1898.60 kPa Joback Calculated Property
Tboil 627.00 K Relay (1.0) Calculated Property
Tc 831.93 K Relay (1.0) Calculated Property
Tfus 330.65 K Aq. Solubility Prediction
Vc 0.827 m3/kmol Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [656.85; 730.77] J/mol×K [738.85; 936.89] Show Hide
Cp,gas 656.85 J/mol×K 738.85 Joback Calculated Property
Cp,gas 671.71 J/mol×K 771.86 Joback Calculated Property
Cp,gas 685.55 J/mol×K 804.86 Joback Calculated Property
Cp,gas 698.36 J/mol×K 837.87 Joback Calculated Property
Cp,gas 710.16 J/mol×K 870.88 Joback Calculated Property
Cp,gas 720.96 J/mol×K 903.89 Joback Calculated Property
Cp,gas 730.77 J/mol×K 936.89 Joback Calculated Property

Similar Compounds

(2-morpholin-4-yl-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-diethylamino-2-oxoethyl) benzoate. [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate. [2-(azetidin-1-yl)-2-oxoethyl] benzoate. [2-(dipropylamino)-2-oxoethyl] benzoate. [2-(di(prop-2-enyl)amino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. [2-(acetyl-methylamino)-2-oxoethyl] benzoate. [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate.

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

Sources

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