Chemical Properties of L-Valine, N-(3-methylbut-2-enoyl)-, ethyl ester

InChI

InChI=1S/C12H21NO3/c1-6-16-12(15)11(9(4)5)13-10(14)7-8(2)3/h7,9,11H,6H2,1-5H3,(H,13,14)

InChI Key

TVLWZBOYAZKPOJ-UHFFFAOYSA-N

Formula

C12H21NO3

SMILES

CCOC(=O)C(N=C(O)C=C(C)C)C(C)C

Molecular Weight¹

227.30

• 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	-518.74	kJ/mol	Joback Calculated Property
ΔvapH°	70.80	kJ/mol	Joback Calculated Property
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	2.497		Crippen Calculated Property
McVol	194.630	ml/mol	McGowan Calculated Property
Pc	1959.60	kPa	Joback Calculated Property
Inp	[1608.00; 1608.00]
Inp	1608.00		NIST
Inp	1608.00		NIST
Tboil	722.15	K	Joback Calculated Property
Tc	916.39	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methylbut-2-enoyl)-, ethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.