Chemical Properties of Urea,1- (4'-tert-butyl-2'-chlorophenyl)-

InChI

InChI=1S/C11H15ClN2O/c1-11(2,3)7-4-5-9(8(12)6-7)14-10(13)15/h4-6H,1-3H3,(H3,13,14,15)

InChI Key

UQKVAFJEQWADBT-UHFFFAOYSA-N

Formula

C11H15ClN2O

SMILES

CC(C)(C)c1ccc(NC(N)=O)c(Cl)c1

Molecular Weight¹

226.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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	[236.11; 533.84]	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			-1.13600e+01
Coefficient B			1.09366e+00
Coefficient C			-7.37220e-04
Coefficient D			1.88760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.11	J/mol×K	273.00	Calculated Property
Cp,gas	291.64	J/mol×K	353.78	Calculated Property
Cp,gas	340.17	J/mol×K	434.56	Calculated Property
Cp,gas	382.29	J/mol×K	515.33	Calculated Property
Cp,gas	418.60	J/mol×K	596.11	Calculated Property
Cp,gas	449.69	J/mol×K	676.89	Calculated Property
Cp,gas	476.16	J/mol×K	757.67	Calculated Property
Cp,gas	498.61	J/mol×K	838.44	Calculated Property
Cp,gas	517.64	J/mol×K	919.22	Calculated Property
Cp,gas	533.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Urea,1- (4'-tert-butyl-2'-chlorophenyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.