Chemical Properties of Benzamide, 4-amino- (CAS 2835-68-9)

InChI

InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)

InChI Key

QIKYZXDTTPVVAC-UHFFFAOYSA-N

Formula

C7H8N2O

SMILES

NC(=O)c1ccc(N)cc1

Molecular Weight¹

136.15

CAS

2835-68-9

Other Names

• 4-Aminobenzamide
• Benzamide, p-amino-
• p-Aminobenzamide
• p-Aminobenzoic acid amide
• p-Carbamoylaniline

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (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_fH°_solid : Solid phase 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6496		Relay (1.0) Calculated Property
PAff	927.90	kJ/mol	NIST
BasG	896.90	kJ/mol	NIST
ΔcH°solid	-3711.20	kJ/mol	NIST
ΔfG°	114.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-142.30	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-187.00	kJ/mol	NIST
ΔfusH°	19.53	kJ/mol	Joback Calculated Property
ΔvapH°	80.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-1.55		Relay (1.0) Calculated Property
logPoct/wat	0.368		Crippen Calculated Property
McVol	107.260	ml/mol	McGowan Calculated Property
Pc	5123.98	kPa	Joback Calculated Property
Tboil	579.17	K	Relay (1.0) Calculated Property
Tc	828.44	K	Relay (1.0) Calculated Property
Tfus	415.07	K	Relay (1.0) Calculated Property
Ttriple	[453.40; 457.60]	K
Ttriple	457.60	K	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Ttriple	453.40	K	Determination and Modeling of Solubility of 4-Aminobenzamide in Different Pure Solvents
Vc	0.379	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.85; 298.94]	J/mol×K	[590.15; 837.19]
Cp,gas	248.85	J/mol×K	590.15	Joback Calculated Property
Cp,gas	259.00	J/mol×K	631.32	Joback Calculated Property
Cp,gas	268.39	J/mol×K	672.50	Joback Calculated Property
Cp,gas	277.04	J/mol×K	713.67	Joback Calculated Property
Cp,gas	284.99	J/mol×K	754.84	Joback Calculated Property
Cp,gas	292.28	J/mol×K	796.02	Joback Calculated Property
Cp,gas	298.94	J/mol×K	837.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 4-amino-.

Mixtures

• Benzamide, 4-amino- + Water
• Ethanol + Benzamide, 4-amino-
• Benzamide, 4-amino- + Methyl Alcohol
• 1-Propanol + Benzamide, 4-amino-
• Isopropyl Alcohol + Benzamide, 4-amino-
• 1-Butanol + Benzamide, 4-amino-
• Benzamide, 4-amino- + 1-Propanol, 2-methyl-
• Benzamide, 4-amino- + Acetic acid, butyl ester
• Acetonitrile + Benzamide, 4-amino-
• Benzamide, 4-amino- + Acetone
• Benzamide, 4-amino- + Ethyl Acetate
• Benzamide, 4-amino- + Acetic acid, methyl ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
• Determination and Modeling of Solubility of 4-Aminobenzamide in Different Pure Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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