Chemical Properties of Cyclopropanecarbonitrile, 1-(p-bromophenyl)-2-[p-(dimethylamino)phenyl]-

InChI

InChI=1S/C18H17BrN2/c1-21(2)16-9-3-13(4-10-16)17-11-18(17,12-20)14-5-7-15(19)8-6-14/h3-10,17H,11H2,1-2H3

InChI Key

ZORJIKKKWXKFTI-UHFFFAOYSA-N

Formula

C18H17BrN2

SMILES

CN(C)c1ccc(C2CC2(C#N)c2ccc(Br)cc2)cc1

Molecular Weight¹

341.25

• 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).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[667.35; 773.30]	J/mol×K	[857.55; 1119.45]
Cp,gas	667.35	J/mol×K	857.55	Joback Calculated Property
Cp,gas	684.02	J/mol×K	901.20	Joback Calculated Property
Cp,gas	700.66	J/mol×K	944.85	Joback Calculated Property
Cp,gas	717.59	J/mol×K	988.50	Joback Calculated Property
Cp,gas	735.13	J/mol×K	1032.15	Joback Calculated Property
Cp,gas	753.59	J/mol×K	1075.80	Joback Calculated Property
Cp,gas	773.30	J/mol×K	1119.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarbonitrile, 1-(p-bromophenyl)-2-[p-(dimethylamino)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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