Chemical Properties of L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, dodecyl ester

InChI

InChI=1S/C25H38F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-33-25(31)22(17(2)3)29-24(30)18-16-19(26)21(28)23(32-4)20(18)27/h16-17,22H,5-15H2,1-4H3,(H,29,30)

InChI Key

GCTDMCPOYFJXJU-UHFFFAOYSA-N

Formula

C25H38F3NO4

SMILES

CCCCCCCCCCCCOC(=O)C(N=C(O)c1cc(F)c(F)c(OC)c1F)C(C)C

Molecular Weight¹

473.57

• 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	-1424.39	kJ/mol	Joback Calculated Property
ΔvapH°	104.58	kJ/mol	Joback Calculated Property
log10WS	-7.90		Crippen Calculated Property
logPoct/wat	6.906		Crippen Calculated Property
McVol	369.520	ml/mol	McGowan Calculated Property
Pc	842.60	kPa	Joback Calculated Property
Inp	[2946.00; 2946.00]
Inp	2946.00		NIST
Inp	2946.00		NIST
Tboil	1082.38	K	Joback Calculated Property
Tc	1345.25	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, dodecyl ester.

Sources

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

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