Chemical Properties of Anthranilic acid, isopropyl ester

InChI

InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3

InChI Key

XKOZHFJYXAQZJX-UHFFFAOYSA-N

Formula

C10H13NO2

SMILES

CC(C)OC(=O)c1ccccc1N

Molecular Weight¹

179.22

Other Names

• Anthranilic acid, isopropyl ester
• Isopropyl anthranilate
• Isopropyl 2-aminobenzoate

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-350.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.35	kJ/mol	Joback Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	1.834		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
Pc	3114.04	kPa	Joback Calculated Property
Inp	[1466.00; 1466.00]
Inp	1466.00		NIST
Inp	1466.00		NIST
Tboil	536.61	K	Relay (1.0) Calculated Property
Tfus	289.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.12; 423.22]	J/mol×K	[590.37; 815.06]
Cp,gas	354.12	J/mol×K	590.37	Joback Calculated Property
Cp,gas	367.82	J/mol×K	627.82	Joback Calculated Property
Cp,gas	380.62	J/mol×K	665.27	Joback Calculated Property
Cp,gas	392.53	J/mol×K	702.71	Joback Calculated Property
Cp,gas	403.59	J/mol×K	740.16	Joback Calculated Property
Cp,gas	413.81	J/mol×K	777.61	Joback Calculated Property
Cp,gas	423.22	J/mol×K	815.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anthranilic acid, isopropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.
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