Chemical Properties of Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]- (CAS 13908-49-1)

InChI

InChI=1S/C12H16ClN3O2/c1-16(2)11(17)9-3-5-10(6-4-9)15-12(18)14-8-7-13/h3-6H,7-8H2,1-2H3,(H2,14,15,18)

InChI Key

ZGLCEZMUTDVHOD-UHFFFAOYSA-N

Formula

C12H16ClN3O2

SMILES

CN(C)C(=O)c1ccc(NC(=O)NCCCl)cc1

Molecular Weight¹

269.73

CAS

13908-49-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.64; 610.68]	J/mol×K	[763.77; 979.60]
Cp,gas	550.64	J/mol×K	763.77	Joback Calculated Property
Cp,gas	562.74	J/mol×K	799.74	Joback Calculated Property
Cp,gas	573.94	J/mol×K	835.71	Joback Calculated Property
Cp,gas	584.29	J/mol×K	871.69	Joback Calculated Property
Cp,gas	593.82	J/mol×K	907.66	Joback Calculated Property
Cp,gas	602.61	J/mol×K	943.63	Joback Calculated Property
Cp,gas	610.68	J/mol×K	979.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-.

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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