Chemical Properties of 4-(Diethylamino)benzonitrile (CAS 2873-90-7)

InChI

InChI=1S/C11H14N2/c1-3-13(4-2)11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3

InChI Key

KMLGFOAKCYHXCQ-UHFFFAOYSA-N

Formula

C11H14N2

SMILES

CCN(CC)c1ccc(C#N)cc1

Molecular Weight¹

174.24

CAS

2873-90-7

Other Names

• Benzonitrile, 4-(diethylamino)-
• p-Diethylaminobenzonitrile

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[201.01; 479.77]	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			-2.04080e+01
Coefficient B			9.69140e-01
Coefficient C			-6.20360e-04
Coefficient D			1.51400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.01	J/mol×K	273.00	Calculated Property
Cp,gas	251.51	J/mol×K	353.78	Calculated Property
Cp,gas	296.01	J/mol×K	434.56	Calculated Property
Cp,gas	334.99	J/mol×K	515.33	Calculated Property
Cp,gas	368.93	J/mol×K	596.11	Calculated Property
Cp,gas	398.31	J/mol×K	676.89	Calculated Property
Cp,gas	423.60	J/mol×K	757.67	Calculated Property
Cp,gas	445.29	J/mol×K	838.44	Calculated Property
Cp,gas	463.86	J/mol×K	919.22	Calculated Property
Cp,gas	479.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-(Diethylamino)benzonitrile.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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