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
ΔfH°gas -495.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.12 kJ/mol Joback Calculated Property
ΔvapH° 86.35 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 2414.74 kPa Joback Calculated Property
Tboil 570.63 K Relay (1.0) Calculated Property
Tc 806.14 K Relay (1.0) Calculated Property
Tfus 385.65 K Aq. Solubility Prediction
Vc 0.689 m3/kmol Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [513.53; 585.33] J/mol×K [682.75; 901.42] Show Hide
Cp,gas 513.53 J/mol×K 682.75 Joback Calculated Property
Cp,gas 528.12 J/mol×K 719.19 Joback Calculated Property
Cp,gas 541.58 J/mol×K 755.64 Joback Calculated Property
Cp,gas 553.99 J/mol×K 792.08 Joback Calculated Property
Cp,gas 565.37 J/mol×K 828.53 Joback Calculated Property
Cp,gas 575.80 J/mol×K 864.97 Joback Calculated Property
Cp,gas 585.33 J/mol×K 901.42 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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