Chemical Properties of L-Valine, N-(5-chlorovaleryl)-, nonyl ester

InChI

InChI=1S/C19H36ClNO3/c1-4-5-6-7-8-9-12-15-24-19(23)18(16(2)3)21-17(22)13-10-11-14-20/h16,18H,4-15H2,1-3H3,(H,21,22)

InChI Key

PHYKVLYJPOAMRG-UHFFFAOYSA-N

Formula

C19H36ClNO3

SMILES

CCCCCCCCCOC(=O)C(N=C(O)CCCCCl)C(C)C

Molecular Weight¹

361.95

• 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	-786.39	kJ/mol	Joback Calculated Property
ΔvapH°	90.73	kJ/mol	Joback Calculated Property
log10WS	-5.64		Crippen Calculated Property
logPoct/wat	5.670		Crippen Calculated Property
McVol	309.800	ml/mol	McGowan Calculated Property
Pc	1092.82	kPa	Joback Calculated Property
Inp	[2545.00; 2545.00]
Inp	2545.00		NIST
Inp	2545.00		NIST
Tboil	915.70	K	Joback Calculated Property
Tc	1121.10	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(5-chlorovaleryl)-, nonyl ester.

Sources

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

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