Chemical Properties of Urea, 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)-

Urea, 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)-

InChI
InChI=1S/C12H17ClN2O4/c1-17-9-6-8(15-12(16)14-5-4-13)7-10(18-2)11(9)19-3/h6-7H,4-5H2,1-3H3,(H2,14,15,16)
InChI Key
RVSXAKGVAATORR-UHFFFAOYSA-N
Formula
C12H17ClN2O4
SMILES
COc1cc(NC(=O)NCCCl)cc(OC)c1OC
Molecular Weight1
288.73
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Physical Properties

Property Value Unit Source
ΔfusH° 39.27 kJ/mol Joback Calculated Property
logPoct/wat 2.073 Crippen Calculated Property
McVol 207.560 ml/mol McGowan Calculated Property
Tboil 622.51 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [303.35; 637.34] 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 A9.53020e+01
Coefficient B8.28060e-01
Coefficient C-2.24980e-04
Coefficient D-6.10400e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.35 J/mol×K 273.00 Calculated Property
Cp,gas 357.39 J/mol×K 353.78 Calculated Property
Cp,gas 407.65 J/mol×K 434.56 Calculated Property
Cp,gas 453.93 J/mol×K 515.33 Calculated Property
Cp,gas 496.04 J/mol×K 596.11 Calculated Property
Cp,gas 533.79 J/mol×K 676.89 Calculated Property
Cp,gas 566.99 J/mol×K 757.67 Calculated Property
Cp,gas 595.45 J/mol×K 838.44 Calculated Property
Cp,gas 618.96 J/mol×K 919.22 Calculated Property
Cp,gas 637.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

Urea, 1-(2-chloroethyl)-3-(p-methoxyphenyl)-. Tetrahydrocannabinol, TFA. «delta»1-tetrahydrocannabinolic acid, methyl-boronate. Lycoramine. propyl-«delta»1-tetrahydrocannabinolic acid, methyl-boronate. 7,8-Dihydro-L-Biopterin, pentakis(trimethylsilyl) derivative. .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. vasicinone. Shinflavanone. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Norhydrocodone. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. «delta»1-tetrahydrocannabinolic acid, TMS. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

Find more compounds similar to Urea, 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)-.

Sources

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