Chemical Properties of L-Leucine, N-dimethylaminomethylene-, butyl ester

InChI

InChI=1S/C13H26N2O2/c1-6-7-8-17-13(16)12(9-11(2)3)14-10-15(4)5/h10-12H,6-9H2,1-5H3

InChI Key

APXKMZSISJFVOJ-UHFFFAOYSA-N

Formula

C13H26N2O2

SMILES

CCCCOC(=O)C(CC(C)C)N=CN(C)C

Molecular Weight¹

242.36

• 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	-417.26	kJ/mol	Joback Calculated Property
ΔvapH°	58.27	kJ/mol	Joback Calculated Property
log10WS	-2.23		Crippen Calculated Property
logPoct/wat	2.334		Crippen Calculated Property
McVol	217.130	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[1598.00; 1598.00]
Inp	1598.00		NIST
Inp	1598.00		NIST
Tboil	661.37	K	Joback Calculated Property
Tc	848.60	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-dimethylaminomethylene-, butyl ester.

Sources

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

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