Chemical Properties of Anthranilic acid, N-methyl-, butyl ester (CAS 15236-34-7)

InChI

InChI=1S/C12H17NO2/c1-3-4-9-15-12(14)10-7-5-6-8-11(10)13-2/h5-8,13H,3-4,9H2,1-2H3

InChI Key

FDQBIXWYPOVREH-UHFFFAOYSA-N

Formula

C12H17NO2

SMILES

CCCCOC(=O)c1ccccc1NC

Molecular Weight¹

207.27

CAS

15236-34-7

Other Names

• Butyl N-methyl anthranilate

• 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).
• 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_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
ΔfG°	8.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-257.28	kJ/mol	Joback Calculated Property
ΔfusH°	28.37	kJ/mol	Joback Calculated Property
ΔvapH°	60.84	kJ/mol	Joback Calculated Property
log10WS	-2.98		Crippen Calculated Property
logPoct/wat	2.685		Crippen Calculated Property
McVol	173.600	ml/mol	McGowan Calculated Property
Pc	2512.55	kPa	Joback Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
I	[2266.00; 2266.00]
I	2266.00		NIST
I	2266.00		NIST
Tboil	632.08	K	Joback Calculated Property
Tc	839.02	K	Joback Calculated Property
Tfus	388.76	K	Joback Calculated Property
Vc	0.658	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.39; 521.13]	J/mol×K	[632.08; 839.02]
Cp,gas	445.39	J/mol×K	632.08	Joback Calculated Property
Cp,gas	460.06	J/mol×K	666.57	Joback Calculated Property
Cp,gas	473.88	J/mol×K	701.06	Joback Calculated Property
Cp,gas	486.88	J/mol×K	735.55	Joback Calculated Property
Cp,gas	499.08	J/mol×K	770.04	Joback Calculated Property
Cp,gas	510.49	J/mol×K	804.53	Joback Calculated Property
Cp,gas	521.13	J/mol×K	839.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anthranilic acid, N-methyl-, butyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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