Chemical Properties of Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)- (CAS 33082-80-3)

InChI

InChI=1S/C13H19ClN2O/c1-13(2,16-12(17)15-9-8-14)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,15,16,17)

InChI Key

KNNXGYCEUVHRSD-UHFFFAOYSA-N

Formula

C13H19ClN2O

SMILES

CC(C)(Cc1ccccc1)NC(=O)NCCCl

Molecular Weight¹

254.76

CAS

33082-80-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[269.24; 644.02]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.94770e+01
Coefficient B			1.41694e+00
Coefficient C			-9.85300e-04
Coefficient D			2.61860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.24	J/mol×K	273.00	Calculated Property
Cp,gas	340.08	J/mol×K	353.78	Calculated Property
Cp,gas	401.69	J/mol×K	434.56	Calculated Property
Cp,gas	454.89	J/mol×K	515.33	Calculated Property
Cp,gas	500.52	J/mol×K	596.11	Calculated Property
Cp,gas	539.40	J/mol×K	676.89	Calculated Property
Cp,gas	572.37	J/mol×K	757.67	Calculated Property
Cp,gas	600.24	J/mol×K	838.44	Calculated Property
Cp,gas	623.85	J/mol×K	919.22	Calculated Property
Cp,gas	644.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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