Chemical Properties of L-Valine, N-(3-fluorobenzoyl)-, pentadecyl ester

InChI

InChI=1S/C27H44FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32-27(31)25(22(2)3)29-26(30)23-18-17-19-24(28)21-23/h17-19,21-22,25H,4-16,20H2,1-3H3,(H,29,30)

InChI Key

HAAIWEURSDXUEP-UHFFFAOYSA-N

Formula

C27H44FNO3

SMILES

CCCCCCCCCCCCCCCOC(=O)C(N=C(O)c1cccc(F)c1)C(C)C

Molecular Weight¹

449.64

• 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	-906.82	kJ/mol	Joback Calculated Property
ΔvapH°	106.27	kJ/mol	Joback Calculated Property
log10WS	-8.38		Crippen Calculated Property
logPoct/wat	7.789		Crippen Calculated Property
McVol	388.290	ml/mol	McGowan Calculated Property
Pc	823.37	kPa	Joback Calculated Property
Inp	[3146.00; 3146.00]
Inp	3146.00		NIST
Inp	3146.00		NIST
Tboil	1092.24	K	Joback Calculated Property
Tc	1352.40	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-fluorobenzoyl)-, pentadecyl ester.

Sources

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

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