Chemical Properties of 1-Benzyl-3-(1,3-dicarbethoxypropyl) urea

1-Benzyl-3-(1,3-dicarbethoxypropyl) urea

InChI
InChI=1S/C17H24N2O5/c1-3-23-15(20)11-10-14(16(21)24-4-2)19-17(22)18-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,18,19,22)
InChI Key
LUKOKKYTVBMHSU-UHFFFAOYSA-N
Formula
C17H24N2O5
SMILES
CCOC(=O)CCC(NC(=O)NCc1ccccc1)C(=O)OCC
Molecular Weight1
336.39
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Physical Properties

Property Value Unit Source
ΔfusH° 50.84 kJ/mol Joback Calculated Property
ΔvapH° 113.81 kJ/mol Relay (1.0) Calculated Property
log10WS -2.70 Relay (1.0) Calculated Property
logPoct/wat 1.761 Crippen Calculated Property
McVol 263.040 ml/mol McGowan Calculated Property
Tboil 643.48 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [374.51; 857.40] 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 A7.60500e+00
Coefficient B1.56064e+00
Coefficient C-8.24700e-04
Coefficient D1.13860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 374.51 J/mol×K 273.00 Calculated Property
Cp,gas 461.55 J/mol×K 353.78 Calculated Property
Cp,gas 539.40 J/mol×K 434.56 Calculated Property
Cp,gas 608.42 J/mol×K 515.33 Calculated Property
Cp,gas 668.98 J/mol×K 596.11 Calculated Property
Cp,gas 721.44 J/mol×K 676.89 Calculated Property
Cp,gas 766.15 J/mol×K 757.67 Calculated Property
Cp,gas 803.47 J/mol×K 838.44 Calculated Property
Cp,gas 833.77 J/mol×K 919.22 Calculated Property
Cp,gas 857.41 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Benzyl-3-(1-carbethoxy-3-methylbutyl) urea. 1-Benzyl-3-(1,2-dicarbethoxyethyl)urea. mexazolam. Poligodial + Phe (methyl ester) adduct, (S). Poligodial + Phe (methyl ester) adduct, (R). Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. risperidone. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. norbormide. 5,6-Dihydrouracil riboside, TMS. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1.

Find more compounds similar to 1-Benzyl-3-(1,3-dicarbethoxypropyl) urea.

Sources

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