Chemical Properties of Benzoic acid, 4-(dimethylamino)-

InChI

InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

InChI Key

YDIYEOMDOWUDTJ-UHFFFAOYSA-N

Formula

C9H11NO2

SMILES

CN(C)c1ccc(C(=O)O)cc1

Molecular Weight¹

165.19

Other Names

• Benzoic acid, p-(dimethylamino)-
• p-(Dimethylamino)benzoic acid
• p-N,N-(Dimethylamino)benzoic acid
• N,N-Dimethyl-4-aminobenzoic acid
• 4-(Dimethylamino)benzoic acid
• N,N-Dimethyl-p-aminobenzoic acid
• NSC 16596

• ω : Acentric Factor.
• 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
ω	0.7375		Relay (1.0) Calculated Property
ΔfG°	-105.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-288.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.88	kJ/mol	Joback Calculated Property
ΔvapH°	96.96	kJ/mol	Relay (1.0) Calculated Property
IE	[7.10; 7.80]	eV
IE	7.10	eV	NIST
IE	7.80	eV	NIST
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	1.451		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3547.31	kPa	Joback Calculated Property
Tboil	564.44	K	Relay (1.0) Calculated Property
Tc	806.02	K	Relay (1.0) Calculated Property
Tfus	506.88	K	Relay (1.0) Calculated Property
Vc	0.479	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.83; 410.89]	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			-3.09900e+01
Coefficient B			8.95140e-01
Coefficient C			-6.15160e-04
Coefficient D			1.61900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.83	J/mol×K	273.00	Calculated Property
Cp,gas	215.87	J/mol×K	353.78	Calculated Property
Cp,gas	255.12	J/mol×K	434.56	Calculated Property
Cp,gas	289.10	J/mol×K	515.33	Calculated Property
Cp,gas	318.31	J/mol×K	596.11	Calculated Property
Cp,gas	343.28	J/mol×K	676.89	Calculated Property
Cp,gas	364.51	J/mol×K	757.67	Calculated Property
Cp,gas	382.51	J/mol×K	838.44	Calculated Property
Cp,gas	397.80	J/mol×K	919.22	Calculated Property
Cp,gas	410.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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