Chemical Properties of Benzonitrile, 4-(dimethylamino)- (CAS 1197-19-9)

InChI

InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

InChI Key

JYMNQRQQBJIMCV-UHFFFAOYSA-N

Formula

C9H10N2

SMILES

CN(C)c1ccc(C#N)cc1

Molecular Weight¹

146.19

CAS

1197-19-9

Other Names

• Benzonitrile, p-(dimethylamino)-
• p-(Dimethylamino)benzoic acid nitrile
• p-(Dimethylamino)benzonitrile
• p-(N,N-Dimethylamino)benzonitrile
• p-Cyano-N,N-dimethylaniline
• N,N-Dimethyl-p-cyanoaniline
• N,N-Dimethyl-4-cyanoaniline
• para(Dimethylamino)benzonitrile
• 4-(Dimethylamino)benzenecarbonitrile
• 4-(Dimethylamino)benzonitrile
• 4-Cyano-N,N-dimethylaniline
• 1-(Dimethylamino)-4-cyanobenzene
• NSC 409122

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	889.10	kJ/mol	NIST
BasG	862.60	kJ/mol	NIST
ΔfG°	371.64	kJ/mol	Joback Calculated Property
ΔfH°gas	228.38	kJ/mol	Joback Calculated Property
ΔfusH°	17.25	kJ/mol	Joback Calculated Property
ΔvapH°	51.09	kJ/mol	Joback Calculated Property
IE	[7.60; 7.99]	eV
IE	7.60	eV	NIST
IE	7.99 ± 0.04	eV	NIST
IE	7.91	eV	NIST
log10WS	-1.73		Crippen Calculated Property
logPoct/wat	1.624		Crippen Calculated Property
McVol	125.270	ml/mol	McGowan Calculated Property
Pc	3110.57	kPa	Joback Calculated Property
Tboil	[591.00; 591.20]	K
Tboil	591.20	K	NIST
Tboil	591.00	K	NIST
Tc	776.47	K	Joback Calculated Property
Tfus	349.00	K	NIST
Vc	0.475	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.92; 337.70]	J/mol×K	[551.50; 776.47]
Cp,gas	276.92	J/mol×K	551.50	Joback Calculated Property
Cp,gas	288.92	J/mol×K	588.99	Joback Calculated Property
Cp,gas	300.13	J/mol×K	626.49	Joback Calculated Property
Cp,gas	310.57	J/mol×K	663.98	Joback Calculated Property
Cp,gas	320.28	J/mol×K	701.48	Joback Calculated Property
Cp,gas	329.31	J/mol×K	738.97	Joback Calculated Property
Cp,gas	337.70	J/mol×K	776.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzonitrile, 4-(dimethylamino)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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