Chemical Properties of anthranilamide

InChI

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

InChI Key

PXBFMLJZNCDSMP-UHFFFAOYSA-N

Formula

C7H8N2O

SMILES

NC(=O)c1ccccc1N

Molecular Weight¹

136.15

• 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).
• P_sub : Sublimation 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	0.6320		Relay (1.0) Calculated Property
ΔfG°	114.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-137.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[20.90; 21.90]	kJ/mol
ΔfusH°	20.90	kJ/mol	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
ΔfusH°	21.90	kJ/mol	Solubility Measurement and Phase Equilibrium Modeling of 2-Aminobenzamide in 15 Pure Solvents
ΔvapH°	71.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-2.01		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	563.73	K	Relay (1.0) Calculated Property
Tc	837.71	K	Relay (1.0) Calculated Property
Tfus	395.17	K	Relay (1.0) Calculated Property
Ttriple	[383.65; 384.40]	K
Ttriple	384.40	K	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Ttriple	383.65	K	Solubility Measurement and Phase Equilibrium Modeling of 2-Aminobenzamide in 15 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
Psub	[9.50e-05; 9.94e-04]	kPa	[335.11; 357.16]
Psub	9.60e-05	kPa	335.11	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	9.50e-05	kPa	335.11	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	9.50e-05	kPa	335.11	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.21e-04	kPa	337.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.21e-04	kPa	337.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.20e-04	kPa	337.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.49e-04	kPa	339.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.52e-04	kPa	339.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.50e-04	kPa	339.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.88e-04	kPa	341.10	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.87e-04	kPa	341.10	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	1.90e-04	kPa	341.10	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	2.32e-04	kPa	343.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	2.36e-04	kPa	343.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	2.37e-04	kPa	343.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	2.85e-04	kPa	345.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	2.98e-04	kPa	345.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	2.90e-04	kPa	345.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	3.59e-04	kPa	347.11	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	3.57e-04	kPa	347.11	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	3.59e-04	kPa	347.11	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	4.45e-04	kPa	349.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	4.35e-04	kPa	349.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	4.41e-04	kPa	349.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	5.45e-04	kPa	351.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	5.39e-04	kPa	351.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	5.30e-04	kPa	351.17	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	6.67e-04	kPa	353.12	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	6.67e-04	kPa	353.12	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	6.63e-04	kPa	353.12	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	8.20e-04	kPa	355.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	8.26e-04	kPa	355.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	8.06e-04	kPa	355.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	9.93e-04	kPa	357.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	9.94e-04	kPa	357.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Psub	9.93e-04	kPa	357.16	Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide

Similar Compounds

Find more compounds similar to anthranilamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
• Solubility Measurement and Phase Equilibrium Modeling of 2-Aminobenzamide in 15 Pure Solvents
• Joback Method
• McGowan Method

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