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

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [261.76; 693.76] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-7.86990e+01
Coefficient B1.46540e+00
Coefficient C-8.39700e-04
Coefficient D1.46760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 261.76 J/mol×K 273.00 Calculated Property
Cp,gas 341.13 J/mol×K 353.78 Calculated Property
Cp,gas 411.57 J/mol×K 434.56 Calculated Property
Cp,gas 473.56 J/mol×K 515.33 Calculated Property
Cp,gas 527.54 J/mol×K 596.11 Calculated Property
Cp,gas 574.00 J/mol×K 676.89 Calculated Property
Cp,gas 613.38 J/mol×K 757.67 Calculated Property
Cp,gas 646.16 J/mol×K 838.44 Calculated Property
Cp,gas 672.80 J/mol×K 919.22 Calculated Property
Cp,gas 693.76 J/mol×K 1000.00 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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