Chemical Properties of Benzamide, 3-amino- (CAS 3544-24-9)

InChI

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

InChI Key

GSCPDZHWVNUUFI-UHFFFAOYSA-N

Formula

C7H8N2O

SMILES

NC(=O)c1cccc(N)c1

Molecular Weight¹

136.15

CAS

3544-24-9

Other Names

• 3-NH2-C6H4CONH2
• 3-aminobenzamide
• Benzamide, m-amino-
• m-aminobenzamide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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, 3-amino-.

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)
• Crippen Method
• Crippen Method
• Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
• Estimation of sublimation enthalpies of aromatic amides at 298.15 K from the values of fusion enthalpies
• Joback Method
• McGowan Method
• NIST Webbook

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