Chemical Properties of naepaine

naepaine

InChI
InChI=1S/C14H22N2O2/c1-2-3-4-9-16-10-11-18-14(17)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11,15H2,1H3
InChI Key
UYXHCVFXDBNRQW-UHFFFAOYSA-N
Formula
C14H22N2O2
SMILES
CCCCCNCCOC(=O)c1ccc(N)cc1
Molecular Weight1
250.34
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Physical Properties

Property Value Unit Source
ω 0.8488 Relay (1.0) Calculated Property
ΔfusH° 40.33 kJ/mol Joback Calculated Property
IE 7.86 eV Relay (1.0) Calculated Property
log10WS -3.27 Aq. Solubility Prediction
logPoct/wat 2.205 Crippen Calculated Property
McVol 211.760 ml/mol McGowan Calculated Property
Pc 2121.68 kPa Joback Calculated Property
Tboil 648.05 K Relay (1.0) Calculated Property
Tc 831.97 K Relay (1.0) Calculated Property
Tfus 339.19 K Relay (1.0) Calculated Property
Vc 0.760 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [300.66; 701.01] 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 A1.24600e+00
Coefficient B1.27872e+00
Coefficient C-6.99360e-04
Coefficient D1.20400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 300.66 J/mol×K 273.00 Calculated Property
Cp,gas 371.43 J/mol×K 353.78 Calculated Property
Cp,gas 434.73 J/mol×K 434.56 Calculated Property
Cp,gas 490.96 J/mol×K 515.33 Calculated Property
Cp,gas 540.49 J/mol×K 596.11 Calculated Property
Cp,gas 583.71 J/mol×K 676.89 Calculated Property
Cp,gas 620.98 J/mol×K 757.67 Calculated Property
Cp,gas 652.71 J/mol×K 838.44 Calculated Property
Cp,gas 679.25 J/mol×K 919.22 Calculated Property
Cp,gas 701.01 J/mol×K 1000.00 Calculated Property

Similar Compounds

Ethanol, 2-[(2-methylpropyl)amino]-, 4-aminobenzoate (ester). Metabutethamine. Hexylcaine. 2-(Benzoyloxy)-N-butylacetamide. farmocaine. Leucinocaine. Butacaine. 4-Piperidyl cyclopentylphenylglycolate. 4-Piperidyl cyclohexylphenylglycolate. OXYPHENCYCLIMINE. Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester. FLAVOXATE. 1-Methyl-4-piperidyl cyclopentylphenylglycolate. Benzoic acid, 2-pentylamino-, pentyl ester. 1,10;7,10-Bisepoxy-1,10-seco-calamenene.

Find more compounds similar to naepaine.

Sources

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