Chemical Properties of Methyl anthranilate (CAS 134-20-3)

InChI

InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3

InChI Key

VAMXMNNIEUEQDV-UHFFFAOYSA-N

Formula

C8H9NO2

SMILES

COC(=O)c1ccccc1N

Molecular Weight¹

151.16

CAS

134-20-3

Other Names

• 2-(Methoxycarbonyl)aniline
• 2-Aminobenzoic acid methyl ester
• 2-Carbomethoxyaniline
• 2-aminobenzoic acid, methyl ester
• Benzoic acid, 2-amino-, methyl ester
• Methyl anthranylate
• Methyl ester of o-Aminobenzoic acid
• Methyl o-aminobenzoate
• Methylester kyseliny anthranilove
• NSC 3109
• Neroli oil, artifical
• Neroli oil, artificial
• Nevoli oil
• anthranilic acid, methyl ester
• methyl 2-aminobenzoate
• o-Amino methyl benzoate
• o-Aminobenzoic acid, methyl ester
• o-Carbomethoxyaniline

• 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_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5586		Relay (1.0) Calculated Property
ΔfH°gas	-280.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.90	kJ/mol	Thermodynamic study of phase transitions in methyl esters of ortho-, meta-, and para-aminobenzoic acids
ΔvapH°	69.50	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	1.055		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	3867.48	kPa	Joback Calculated Property
Inp	[1290.00; 1373.00]
Inp	1298.00		NIST
Inp	1306.30		NIST
Inp	1328.00		NIST
Inp	1313.00		NIST
Inp	1337.00		NIST
Inp	1343.00		NIST
Inp	Outlier 1373.00		NIST
Inp	1338.00		NIST
Inp	1332.00		NIST
Inp	1354.00		NIST
Inp	1338.00		NIST
Inp	1342.00		NIST
Inp	1332.00		NIST
Inp	1328.00		NIST
Inp	1316.00		NIST
Inp	1320.00		NIST
Inp	1329.00		NIST
Inp	1336.00		NIST
Inp	1325.00		NIST
Inp	1346.90		NIST
Inp	1345.20		NIST
Inp	1360.70		NIST
Inp	1341.00		NIST
Inp	1345.00		NIST
Inp	1346.00		NIST
Inp	1346.00		NIST
Inp	1343.00		NIST
Inp	1347.00		NIST
Inp	1331.00		NIST
Inp	1337.00		NIST
Inp	1341.00		NIST
Inp	1363.00		NIST
Inp	1346.00		NIST
Inp	1317.00		NIST
Inp	1320.00		NIST
Inp	Outlier 1296.00		NIST
Inp	1332.00		NIST
Inp	1311.00		NIST
Inp	1312.00		NIST
Inp	1318.00		NIST
Inp	1327.00		NIST
Inp	1301.00		NIST
Inp	1314.00		NIST
Inp	Outlier 1372.00		NIST
Inp	1328.00		NIST
Inp	1343.00		NIST
Inp	1332.00		NIST
Inp	1343.00		NIST
Inp	1343.00		NIST
Inp	1343.00		NIST
Inp	Outlier 1290.00		NIST
Inp	1315.00		NIST
Inp	1332.00		NIST
Inp	1332.00		NIST
Inp	1309.00		NIST
Inp	1343.00		NIST
Inp	1343.00		NIST
Inp	Outlier 1373.00		NIST
Inp	1342.00		NIST
Inp	1329.00		NIST
Inp	1346.90		NIST
Ip	[2181.00; 2270.00]
Ip	2194.00		NIST
Ip	2188.00		NIST
Ip	2254.00		NIST
Ip	2197.00		NIST
Ip	2206.00		NIST
Ip	2189.00		NIST
Ip	2197.00		NIST
Ip	2198.00		NIST
Ip	2259.00		NIST
Ip	2236.00		NIST
Ip	2232.00		NIST
Ip	2247.00		NIST
Ip	2226.00		NIST
Ip	2260.00		NIST
Ip	2257.00		NIST
Ip	2270.00		NIST
Ip	2181.00		NIST
Ip	2181.00		NIST
Ip	2265.00		NIST
Ip	2248.00		NIST
Ip	2244.00		NIST
Ip	2248.00		NIST
Ip	2255.00		NIST
Ip	2225.00		NIST
Ip	2255.00		NIST
Ip	2213.00		NIST
Ip	2246.00		NIST
Ip	2216.00		NIST
Ip	2181.00		NIST
Ip	2229.00		NIST
Ip	2197.00		NIST
Ip	2265.00		NIST
Ip	2181.00		NIST
Ip	2262.00		NIST
Ip	2233.00		NIST
Ip	2181.00		NIST
Ip	2236.00		NIST
Ip	2257.00		NIST
Ip	2248.00		NIST
Ip	2255.00		NIST
Tboil	529.20	K	NIST
Tc	753.43	K	Relay (1.0) Calculated Property
Tfus	[297.15; 298.65]	K
Tfus	297.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	297.50 ± 0.50	K	NIST
Tfus	298.65 ± 1.00	K	NIST
Tfus	297.60 ± 0.02	K	NIST
Vc	0.412	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.20; 354.57]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.91000e+00
Coefficient B			6.32520e-01
Coefficient C			-3.24360e-04
Coefficient D			3.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.20	J/mol×K	273.00	Calculated Property
Cp,gas	192.79	J/mol×K	353.78	Calculated Property
Cp,gas	224.68	J/mol×K	434.56	Calculated Property
Cp,gas	253.00	J/mol×K	515.33	Calculated Property
Cp,gas	277.86	J/mol×K	596.11	Calculated Property
Cp,gas	299.38	J/mol×K	676.89	Calculated Property
Cp,gas	317.69	J/mol×K	757.67	Calculated Property
Cp,gas	332.91	J/mol×K	838.44	Calculated Property
Cp,gas	345.17	J/mol×K	919.22	Calculated Property
Cp,gas	354.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.23]	kPa	[350.80; 539.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53365e+01
Coefficient B			-5.29807e+03
Coefficient C			-4.54360e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			350.80
Temperature range, max.			539.70
Pvap	0.13	kPa	350.80	Calculated Property
Pvap	0.41	kPa	371.79	Calculated Property
Pvap	1.09	kPa	392.78	Calculated Property
Pvap	2.59	kPa	413.77	Calculated Property
Pvap	5.63	kPa	434.76	Calculated Property
Pvap	11.29	kPa	455.74	Calculated Property
Pvap	21.17	kPa	476.73	Calculated Property
Pvap	37.43	kPa	497.72	Calculated Property
Pvap	62.93	kPa	518.71	Calculated Property
Pvap	101.23	kPa	539.70	Calculated Property

Similar Compounds

Find more compounds similar to Methyl anthranilate.

Mixtures

• Methyl anthranilate + Water
• Methyl anthranilate + Methyl Alcohol + Water
• Toluene + Methyl anthranilate + Water

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid-liquid equilibria for systems of water + methanol + methyl anthranilate at several temperatures
• Thermodynamic study of phase transitions in methyl esters of ortho-, meta-, and para-aminobenzoic acids
• Ternary and Quaternary Liquid Liquid Equilibria for Systems of Water + Methanol + Methylanthranilate + Toluene at Different Temperatures
• Joback Method
• McGowan Method
• NIST Webbook

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