Chemical Properties of [2-(cyclohexylamino)-2-oxoethyl] benzoate

[2-(cyclohexylamino)-2-oxoethyl] benzoate

InChI
InChI=1S/C15H19NO3/c17-14(16-13-9-5-2-6-10-13)11-19-15(18)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17)
InChI Key
DQMPCJPRPFRUIT-UHFFFAOYSA-N
Formula
C15H19NO3
SMILES
O=C(COC(=O)c1ccccc1)NC1CCCCC1
Molecular Weight1
261.32
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Physical Properties

Property Value Unit Source
ω 0.6866 Relay (1.0) Calculated Property
ΔfH°gas -489.87 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.55 kJ/mol Joback Calculated Property
ΔvapH° 97.60 kJ/mol Relay (1.0) Calculated Property
IE 8.78 eV Relay (1.0) Calculated Property
log10WS -3.90 Aq. Solubility Prediction
logPoct/wat 2.292 Crippen Calculated Property
McVol 206.580 ml/mol McGowan Calculated Property
Pc 2400.57 kPa Joback Calculated Property
Tboil 622.15 K Relay (1.0) Calculated Property
Tc 880.52 K Relay (1.0) Calculated Property
Tfus 375.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [610.52; 689.99] J/mol×K [751.29; 983.78] Show Hide
Cp,gas 610.52 J/mol×K 751.29 Joback Calculated Property
Cp,gas 627.28 J/mol×K 790.04 Joback Calculated Property
Cp,gas 642.57 J/mol×K 828.79 Joback Calculated Property
Cp,gas 656.44 J/mol×K 867.54 Joback Calculated Property
Cp,gas 668.93 J/mol×K 906.28 Joback Calculated Property
Cp,gas 680.09 J/mol×K 945.03 Joback Calculated Property
Cp,gas 689.99 J/mol×K 983.78 Joback Calculated Property

Similar Compounds

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate. 2-(Benzoyloxy)-N-butylacetamide. Hexylcaine. [2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate. methyl 1-[2-(benzoyloxy)acetyl]pyrrolidine-2-carboxylate. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-carboxy-HO-alkyl-), ethylated. Merresectine A. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (carboxy-HO-alkyl-), ethylated. 4'-Ethoxycarbonyl-«alpha»-(2-oxopyrrolidino)hexanophene. Benzoic acid, 4-[1-hydroxy-2-(2-oxopyrrolidino)hexyl]-, ethyl ester. 13-Benzoyloxy-17-oxolupanine. 4-Piperidyl cyclopentylphenylglycolate. 1-Methyl-4-piperidyl cyclopentylphenylglycolate. 4-Piperidyl cyclohexylphenylglycolate.

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

Sources

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