Chemical Properties of Urea],1,1'-(1,4-cyclohexylenedimethylene)bis[3-methyl- (CAS 116373-59-2)

InChI

InChI=1S/C12H24N4O2/c1-13-11(17)15-7-9-3-5-10(6-4-9)8-16-12(18)14-2/h9-10H,3-8H2,1-2H3,(H2,13,15,17)(H2,14,16,18)

InChI Key

KVVRJFPRHMHPMK-UHFFFAOYSA-N

Formula

C12H24N4O2

SMILES

CNC(=O)NCC1CCC(CNC(=O)NC)CC1

Molecular Weight¹

256.34

CAS

116373-59-2

• 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).
• 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, 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	[290.78; 755.75]	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			-5.78080e+01
Coefficient B			1.48824e+00
Coefficient C			-8.11600e-04
Coefficient D			1.36920e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.78	J/mol×K	273.00	Calculated Property
Cp,gas	373.18	J/mol×K	353.78	Calculated Property
Cp,gas	446.89	J/mol×K	434.56	Calculated Property
Cp,gas	512.33	J/mol×K	515.33	Calculated Property
Cp,gas	569.95	J/mol×K	596.11	Calculated Property
Cp,gas	620.17	J/mol×K	676.89	Calculated Property
Cp,gas	663.43	J/mol×K	757.67	Calculated Property
Cp,gas	700.16	J/mol×K	838.44	Calculated Property
Cp,gas	730.79	J/mol×K	919.22	Calculated Property
Cp,gas	755.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Urea],1,1'-(1,4-cyclohexylenedimethylene)bis[3-methyl-.

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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