Chemical Properties of iso-Butyl n-methyl anthranilate

InChI

InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3

InChI Key

WKYZGTHZBSYUFI-UHFFFAOYSA-N

Formula

C12H17NO2

SMILES

CNc1ccccc1C(=O)OCC(C)C

Molecular Weight¹

207.27

Other Names

• iso-Butyl N-methyl anthranilate
• isobutyl 2-(methylamino)benzoate

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-350.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.43	kJ/mol	Joback Calculated Property
ΔvapH°	74.01	kJ/mol	Relay (1.0) Calculated Property
IE	7.70	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	2.541		Crippen Calculated Property
McVol	173.600	ml/mol	McGowan Calculated Property
Pc	2431.44	kPa	Joback Calculated Property
Inp	1617.00		NIST
I	[2174.00; 2174.00]
I	2174.00		NIST
I	2174.00		NIST
Tboil	566.81	K	Relay (1.0) Calculated Property
Tfus	289.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[441.12; 519.41]	J/mol×K	[613.77; 822.63]
Cp,gas	441.12	J/mol×K	613.77	Joback Calculated Property
Cp,gas	456.42	J/mol×K	648.58	Joback Calculated Property
Cp,gas	470.80	J/mol×K	683.39	Joback Calculated Property
Cp,gas	484.26	J/mol×K	718.20	Joback Calculated Property
Cp,gas	496.84	J/mol×K	753.01	Joback Calculated Property
Cp,gas	508.55	J/mol×K	787.82	Joback Calculated Property
Cp,gas	519.41	J/mol×K	822.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to iso-Butyl n-methyl anthranilate.

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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