Chemical Properties of Urea, 1-(2',4'-di-tert-butylphenyl)-3-isopropyl-

InChI

InChI=1S/C18H30N2O/c1-12(2)19-16(21)20-15-10-9-13(17(3,4)5)11-14(15)18(6,7)8/h9-12H,1-8H3,(H2,19,20,21)

InChI Key

JXEQUBFSUKRCTN-UHFFFAOYSA-N

Formula

C18H30N2O

SMILES

CC(C)NC(=O)Nc1ccc(C(C)(C)C)cc1C(C)(C)C

Molecular Weight¹

290.45

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[365.23; 889.63]	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			-6.44700e+01
Coefficient B			1.89796e+00
Coefficient C			-1.27782e-03
Coefficient D			3.33960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	365.23	J/mol×K	273.00	Calculated Property
Cp,gas	461.84	J/mol×K	353.78	Calculated Property
Cp,gas	546.40	J/mol×K	434.56	Calculated Property
Cp,gas	619.97	J/mol×K	515.33	Calculated Property
Cp,gas	683.60	J/mol×K	596.11	Calculated Property
Cp,gas	738.34	J/mol×K	676.89	Calculated Property
Cp,gas	785.26	J/mol×K	757.67	Calculated Property
Cp,gas	825.41	J/mol×K	838.44	Calculated Property
Cp,gas	859.85	J/mol×K	919.22	Calculated Property
Cp,gas	889.63	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Urea, 1-(2',4'-di-tert-butylphenyl)-3-isopropyl-.

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.
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