Chemical Properties of anthranilic acid (CAS 118-92-3)

InChI

InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)

InChI Key

RWZYAGGXGHYGMB-UHFFFAOYSA-N

Formula

C7H7NO2

SMILES

Nc1ccccc1C(=O)O

Molecular Weight¹

137.14

CAS

118-92-3

Other Names

• 2-aminobenzoic acid

• 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).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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
PAff	901.50	kJ/mol	NIST
BasG	869.00	kJ/mol	NIST
ΔcH°solid	[-3354.00; -3353.83]	kJ/mol
ΔcH°solid	-3353.83 ± 0.80	kJ/mol	NIST
ΔcH°solid	-3354.00 ± 0.80	kJ/mol	NIST
ΔfG°	-88.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-296.20 ± 1.60	kJ/mol	NIST
ΔfH°solid	[-401.10; -401.00]	kJ/mol
ΔfH°solid	-401.10 ± 1.20	kJ/mol	NIST
ΔfH°solid	-401.00 ± 0.80	kJ/mol	NIST
ΔfusH°	18.42	kJ/mol	Joback Calculated Property
ΔsubH°	[104.90; 111.60]	kJ/mol
ΔsubH°	104.90 ± 1.00	kJ/mol	NIST
ΔsubH°	104.90 ± 1.00	kJ/mol	NIST
ΔsubH°	111.60 ± 1.70	kJ/mol	NIST
ΔvapH°	68.18	kJ/mol	Joback Calculated Property
IE	[7.60; 8.29]	eV
IE	7.60	eV	NIST
IE	8.29	eV	NIST
IE	8.00	eV	NIST
log10WS	-1.52		Aq. Sol...
logPoct/wat	0.967		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Pc	5390.71	kPa	Joback Calculated Property
Inp	[1413.10; 1416.00]
Inp	1413.10		NIST
Inp	1416.00		NIST
Inp	1413.10		NIST
I	[2997.00; 3021.00]
I	2997.00		NIST
I	3021.00		NIST
Tboil	609.80	K	Joback Calculated Property
Tc	828.81	K	Joback Calculated Property
Tfus	417.80 ± 0.50	K	NIST
Vc	0.373	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.14; 281.56]	J/mol×K	[609.80; 828.81]
Cp,gas	240.14	J/mol×K	609.80	Joback Calculated Property
Cp,gas	248.38	J/mol×K	646.30	Joback Calculated Property
Cp,gas	256.05	J/mol×K	682.80	Joback Calculated Property
Cp,gas	263.18	J/mol×K	719.31	Joback Calculated Property
Cp,gas	269.79	J/mol×K	755.81	Joback Calculated Property
Cp,gas	275.91	J/mol×K	792.31	Joback Calculated Property
Cp,gas	281.56	J/mol×K	828.81	Joback Calculated Property
Cp,solid	[165.30; 187.00]	J/mol×K	[298.00; 323.00]
Cp,solid	165.30	J/mol×K	298.00	NIST
Cp,solid	187.00	J/mol×K	323.00	NIST
ΔfusH	[20.38; 20.50]	kJ/mol	[417.80; 417.80]
ΔfusH	20.50	kJ/mol	417.80	NIST
ΔfusH	20.50	kJ/mol	417.80	NIST
ΔfusH	20.38	kJ/mol	417.80	NIST
ΔfusS	48.80	J/mol×K	417.80	NIST

Similar Compounds

Find more compounds similar to anthranilic acid.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.