Chemical Properties of L-Isoleucine, N-dimethylaminomethylene-, ethyl ester

InChI

InChI=1S/C11H22N2O2/c1-6-9(3)10(11(14)15-7-2)12-8-13(4)5/h8-10H,6-7H2,1-5H3

InChI Key

FYQLEJWDNZYUQT-UHFFFAOYSA-N

Formula

C11H22N2O2

SMILES

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

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	-375.98	kJ/mol	Joback Calculated Property
ΔvapH°	53.82	kJ/mol	Joback Calculated Property
log10WS	-1.39		Crippen Calculated Property
logPoct/wat	1.554		Crippen Calculated Property
McVol	188.950	ml/mol	McGowan Calculated Property
Pc	1859.51	kPa	Joback Calculated Property
Inp	[1427.00; 1427.00]
Inp	1427.00		NIST
Inp	1427.00		NIST
Tboil	615.61	K	Joback Calculated Property
Tc	806.50	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Isoleucine, N-dimethylaminomethylene-, ethyl ester.

Sources

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

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