Chemical Properties of L-Valine, N-(3-chloro-2-fluorobenzoyl)-, isohexyl ester

InChI

InChI=1S/C18H25ClFNO3/c1-11(2)7-6-10-24-18(23)16(12(3)4)21-17(22)13-8-5-9-14(19)15(13)20/h5,8-9,11-12,16H,6-7,10H2,1-4H3,(H,21,22)

InChI Key

TYBJGMNJVKIAJU-UHFFFAOYSA-N

Formula

C18H25ClFNO3

SMILES

CC(C)CCCOC(=O)C(N=C(O)c1cccc(Cl)c1F)C(C)C

Molecular Weight¹

357.85

• 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	-753.55	kJ/mol	Joback Calculated Property
ΔvapH°	90.89	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	4.788		Crippen Calculated Property
McVol	273.720	ml/mol	McGowan Calculated Property
Pc	1408.01	kPa	Joback Calculated Property
Inp	[2369.00; 2369.00]
Inp	2369.00		NIST
Inp	2369.00		NIST
Tboil	928.29	K	Joback Calculated Property
Tc	1142.40	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, isohexyl ester.

Sources

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

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