Chemical Properties of DL-3-Aminoisobutyric acid, N-dimethylaminomethylene-, butyl ester

InChI

InChI=1S/C11H22N2O2/c1-5-6-7-15-11(14)10(2)8-12-9-13(3)4/h9-10H,5-8H2,1-4H3

InChI Key

ITSLBBQPCZTJEH-UHFFFAOYSA-N

Formula

C11H22N2O2

SMILES

CCCCOC(=O)C(C)CN=CN(C)C

Molecular Weight¹

214.30

• 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	-370.70	kJ/mol	Joback Calculated Property
ΔvapH°	54.20	kJ/mol	Joback Calculated Property
log10WS	-1.28		Crippen Calculated Property
logPoct/wat	1.556		Crippen Calculated Property
McVol	188.950	ml/mol	McGowan Calculated Property
Pc	1846.75	kPa	Joback Calculated Property
Inp	[1501.00; 1501.00]
Inp	1501.00		NIST
Inp	1501.00		NIST
Tboil	616.05	K	Joback Calculated Property
Tc	803.58	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-3-Aminoisobutyric acid, N-dimethylaminomethylene-, butyl ester.

Sources

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

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