Chemical Properties of ethyl anthranilate (CAS 87-25-2)

InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3

InChI Key

TWLLPUMZVVGILS-UHFFFAOYSA-N

Formula

C9H11NO2

SMILES

CCOC(=O)c1ccccc1N

Molecular Weight¹

165.19

CAS

87-25-2

Other Names

• anthranilic acid, ethyl ester
• benzoic acid, 2-amino-, ethyl ester
• ethyl 2-aminobenzoate
• ethyl o-aminobenzoate
• o-aminobenzoic acid, ethyl ester

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5946		Relay (1.0) Calculated Property
ΔfH°gas	-325.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.28	kJ/mol	Joback Calculated Property
ΔvapH°	70.31	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-2.77		Relay (1.0) Calculated Property
logPoct/wat	1.446		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3443.98	kPa	Joback Calculated Property
Inp	[1387.00; 1452.00]
Inp	1387.00		NIST
Inp	1452.00		NIST
Inp	1419.00		NIST
Inp	1413.00		NIST
Inp	1413.00		NIST
Inp	1396.00		NIST
Inp	1396.00		NIST
Inp	1452.00		NIST
Inp	1396.00		NIST
I	[2232.00; 2232.00]
I	2232.00		NIST
I	2232.00		NIST
I	2232.00		NIST
Tboil	[540.00; 541.20]	K
Tboil	541.20	K	NIST
Tboil	540.00 ± 1.00	K	NIST
Tc	751.27	K	Relay (1.0) Calculated Property
Tfus	[286.00; 287.50]	K
Tfus	286.00	K	NIST
Tfus	287.50 ± 0.02	K	NIST

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.25; 370.64]	J/mol×K	[567.93; 791.94]
Cp,gas	307.25	J/mol×K	567.93	Joback Calculated Property
Cp,gas	319.76	J/mol×K	605.26	Joback Calculated Property
Cp,gas	331.48	J/mol×K	642.60	Joback Calculated Property
Cp,gas	342.40	J/mol×K	679.93	Joback Calculated Property
Cp,gas	352.56	J/mol×K	717.27	Joback Calculated Property
Cp,gas	361.97	J/mol×K	754.60	Joback Calculated Property
Cp,gas	370.64	J/mol×K	791.94	Joback Calculated Property
ΔvapH	[59.60; 70.95]	kJ/mol	[298.15; 513.00]
ΔvapH	70.95	kJ/mol	298.15	Thermal and structural properties of ethyl 2- and 3-aminobenzoates: Experimental and computational approaches
ΔvapH	59.60	kJ/mol	513.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[402.70; 419.20]	K	[1.00; 2.00]
Tboilr	402.70	K	1.00	NIST
Tboilr	419.20	K	2.00	NIST
Tboilr	419.00 ± 1.00	K	2.00	NIST

Similar Compounds

Find more compounds similar to ethyl anthranilate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermal and structural properties of ethyl 2- and 3-aminobenzoates: Experimental and computational approaches
• Joback Method
• McGowan Method
• NIST Webbook

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