Chemical Properties of [2-(tert-butylamino)-2-oxoethyl] benzoate

[2-(tert-butylamino)-2-oxoethyl] benzoate

InChI
InChI=1S/C13H17NO3/c1-13(2,3)14-11(15)9-17-12(16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,15)
InChI Key
NZNPHIKNHGRVLZ-UHFFFAOYSA-N
Formula
C13H17NO3
SMILES
CC(C)(C)NC(=O)COC(=O)c1ccccc1
Molecular Weight1
235.28
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Physical Properties

Property Value Unit Source
ω 0.6751 Relay (1.0) Calculated Property
ΔfG° -99.62 kJ/mol Joback Calculated Property
ΔfH°gas -495.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.54 kJ/mol Joback Calculated Property
ΔvapH° 84.72 kJ/mol Relay (1.0) Calculated Property
IE 8.59 eV Relay (1.0) Calculated Property
log10WS -2.87 Aq. Solubility Prediction
logPoct/wat 1.758 Crippen Calculated Property
McVol 189.260 ml/mol McGowan Calculated Property
Pc 2515.07 kPa Joback Calculated Property
Tboil 570.63 K Relay (1.0) Calculated Property
Tc 803.28 K Relay (1.0) Calculated Property
Tfus 385.65 K Aq. Solubility Prediction
Vc 0.687 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [517.68; 588.55] J/mol×K [700.62; 921.10] Show Hide
Cp,gas 517.68 J/mol×K 700.62 Joback Calculated Property
Cp,gas 531.96 J/mol×K 737.37 Joback Calculated Property
Cp,gas 545.18 J/mol×K 774.11 Joback Calculated Property
Cp,gas 557.40 J/mol×K 810.86 Joback Calculated Property
Cp,gas 568.66 J/mol×K 847.60 Joback Calculated Property
Cp,gas 579.03 J/mol×K 884.35 Joback Calculated Property
Cp,gas 588.55 J/mol×K 921.10 Joback Calculated Property

Similar Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] benzoate. (2-acetamido-2-oxoethyl) benzoate. [2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl] benzoate. (2-ethylamino-2-oxoethyl) benzoate. (2-oxo-2-propylaminoethyl) benzoate. (2-methylamino-2-oxoethyl) benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. 2-(Benzoyloxy)-N-butylacetamide. [2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate. [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] benzoate. (2-amino-2-oxoethyl) benzoate. [2-(acetyl-methylamino)-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. (2-dimethylamino-2-oxoethyl) benzoate. [2-(cyclohexylamino)-2-oxoethyl] benzoate.

Find more compounds similar to [2-(tert-butylamino)-2-oxoethyl] benzoate.

Sources

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