Chemical Properties of 3-Amino-2,3-dihydrobenzoic acid, N-dimethylaminomethylene-, methyl ester

InChI

InChI=1S/C11H16N2O2/c1-13(2)8-12-10-6-4-5-9(7-10)11(14)15-3/h4-6,8,10H,7H2,1-3H3

InChI Key

MRZXRVKVGAEXPV-UHFFFAOYSA-N

Formula

C11H16N2O2

SMILES

COC(=O)C1=CC=CC(N=CN(C)C)C1

Molecular Weight¹

208.26

• Δ_fH°_gas : Enthalpy of formation 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-207.01	kJ/mol	Joback Calculated Property
ΔvapH°	56.27	kJ/mol	Joback Calculated Property
log10WS	-1.23		Crippen Calculated Property
logPoct/wat	1.004		Crippen Calculated Property
McVol	169.490	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1685.00; 1685.00]
Inp	1685.00		NIST
Inp	1685.00		NIST
Tboil	639.34	K	Joback Calculated Property
Tc	858.81	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Amino-2,3-dihydrobenzoic acid, N-dimethylaminomethylene-, methyl ester.

Sources

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

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