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

InChI

InChI=1S/C12H24N2O2/c1-6-7-8-16-12(15)11(10(2)3)13-9-14(4)5/h9-11H,6-8H2,1-5H3

InChI Key

CIQLNMPTUROYST-UHFFFAOYSA-N

Formula

C12H24N2O2

SMILES

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

Molecular Weight¹

228.33

• 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	-396.62	kJ/mol	Joback Calculated Property
ΔvapH°	56.04	kJ/mol	Joback Calculated Property
log10WS	-1.81		Crippen Calculated Property
logPoct/wat	1.944		Crippen Calculated Property
McVol	203.040	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[1513.00; 1513.00]
Inp	1513.00		NIST
Inp	1513.00		NIST
Tboil	638.49	K	Joback Calculated Property
Tc	827.39	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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