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

• 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_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).
• 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_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	927.90	kJ/mol	NIST
BasG	896.90	kJ/mol	NIST
ΔcH°solid	-3711.20	kJ/mol	NIST
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
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
Tboil	579.17	K	Relay (1.0) Calculated Property
Tfus	415.83	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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[140.94; 319.86]	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			-2.74000e+00
Coefficient B			6.26200e-01
Coefficient C			-3.89260e-04
Coefficient D			8.56600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.94	J/mol×K	273.00	Calculated Property
Cp,gas	173.87	J/mol×K	353.78	Calculated Property
Cp,gas	202.90	J/mol×K	434.56	Calculated Property
Cp,gas	228.31	J/mol×K	515.33	Calculated Property
Cp,gas	250.37	J/mol×K	596.11	Calculated Property
Cp,gas	269.34	J/mol×K	676.89	Calculated Property
Cp,gas	285.51	J/mol×K	757.67	Calculated Property
Cp,gas	299.14	J/mol×K	838.44	Calculated Property
Cp,gas	310.50	J/mol×K	919.22	Calculated Property
Cp,gas	319.86	J/mol×K	1000.00	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-
• 2-Propanol + 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)
• 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
• 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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