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

InChI

InChI=1S/C15H27NO3/c1-6-7-8-9-19-15(18)14(12(4)5)16-13(17)10-11(2)3/h10,12,14H,6-9H2,1-5H3,(H,16,17)

InChI Key

WXYZMYGLZXHHNJ-UHFFFAOYSA-N

Formula

C15H27NO3

SMILES

CCCCCOC(=O)C(N=C(O)C=C(C)C)C(C)C

Molecular Weight¹

269.38

• 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	-580.66	kJ/mol	Joback Calculated Property
ΔvapH°	77.48	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen Calculated Property
logPoct/wat	3.667		Crippen Calculated Property
McVol	236.900	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[1893.00; 1893.00]
Inp	1893.00		NIST
Inp	1893.00		NIST
Tboil	790.79	K	Joback Calculated Property
Tc	983.50	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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