Chemical Properties of 2-acetamidobenzoic acid

InChI

InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

InChI Key

QSACCXVHEVWNMX-UHFFFAOYSA-N

Formula

C9H9NO3

SMILES

CC(=O)Nc1ccccc1C(=O)O

Molecular Weight¹

179.18

Other Names

• N-acetylanthranilic acid
• o-acetamidobenzoic acid

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7776		Relay (1.0) Calculated Property
ΔfG°	-177.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-487.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[29.32; 49.40]	kJ/mol
ΔfusH°	29.32	kJ/mol	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
ΔfusH°	49.40	kJ/mol	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
ΔvapH°	97.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-1.91		Relay (1.0) Calculated Property
logPoct/wat	1.343		Crippen Calculated Property
McVol	132.900	ml/mol	McGowan Calculated Property
Pc	4244.08	kPa	Joback Calculated Property
Tboil	573.03	K	Relay (1.0) Calculated Property
Tc	858.80	K	Relay (1.0) Calculated Property
Tfus	[455.11; 458.40]	K
Tfus	455.11	K	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Tfus	458.40	K	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Vc	0.468	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.53; 380.73]	J/mol×K	[687.07; 898.02]
Cp,gas	335.53	J/mol×K	687.07	Joback Calculated Property
Cp,gas	344.57	J/mol×K	722.23	Joback Calculated Property
Cp,gas	352.97	J/mol×K	757.39	Joback Calculated Property
Cp,gas	360.77	J/mol×K	792.54	Joback Calculated Property
Cp,gas	367.97	J/mol×K	827.70	Joback Calculated Property
Cp,gas	374.62	J/mol×K	862.86	Joback Calculated Property
Cp,gas	380.73	J/mol×K	898.02	Joback Calculated Property
Psub	[1.66e-05; 1.98e-03]	kPa	[344.70; 393.50]
Psub	1.66e-05	kPa	344.70	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	3.37e-05	kPa	351.30	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	5.58e-05	kPa	357.30	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	1.11e-04	kPa	363.50	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	1.16e-04	kPa	363.80	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	1.38e-04	kPa	366.20	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	8.30e-05	kPa	367.17	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	8.30e-05	kPa	367.17	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	8.30e-05	kPa	367.17	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	1.09e-04	kPa	369.28	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	1.08e-04	kPa	369.28	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	1.06e-04	kPa	369.28	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	2.35e-04	kPa	369.70	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	2.43e-04	kPa	371.00	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	1.28e-04	kPa	371.16	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	1.60e-04	kPa	373.16	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	1.63e-04	kPa	373.16	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	2.89e-04	kPa	373.50	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	2.10e-04	kPa	375.26	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	2.07e-04	kPa	375.26	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	2.55e-04	kPa	377.16	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	2.48e-04	kPa	377.16	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	2.58e-04	kPa	377.16	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	5.55e-04	kPa	377.40	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	3.08e-04	kPa	379.19	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	3.05e-04	kPa	379.19	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	3.03e-04	kPa	379.19	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	5.71e-04	kPa	380.00	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	3.73e-04	kPa	381.29	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	3.85e-04	kPa	381.29	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	3.78e-04	kPa	381.29	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	4.38e-04	kPa	383.16	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	9.48e-04	kPa	383.80	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	5.61e-04	kPa	385.15	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	5.74e-04	kPa	385.15	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	5.77e-04	kPa	385.15	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	1.17e-03	kPa	387.20	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	6.97e-04	kPa	387.26	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	7.80e-04	kPa	387.26	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	7.11e-04	kPa	387.26	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	8.40e-04	kPa	389.15	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	8.29e-04	kPa	389.15	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	8.40e-04	kPa	389.15	Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Psub	1.52e-03	kPa	390.40	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
Psub	1.98e-03	kPa	393.50	Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures

Similar Compounds

Find more compounds similar to 2-acetamidobenzoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
• Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
• Joback Method
• McGowan Method

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