Chemical Properties of (E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, «omega»-PFB-oxime

InChI

InChI=1S/C20H22F5NO4/c1-29-15(28)10-6-4-2-3-5-8-13(27)9-7-11-26-30-12-14-16(21)18(23)20(25)19(24)17(14)22/h7,9,11H,2-6,8,10,12H2,1H3/b9-7+,26-11+

InChI Key

LONGJJDENAGZAX-RXTJIVFLSA-N

Formula

C20H22F5NO4

SMILES

COC(=O)CCCCCCCC(=O)C=CC=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

435.38

• 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	-1547.66	kJ/mol	Joback Calculated Property
ΔvapH°	83.20	kJ/mol	Joback Calculated Property
log10WS	-6.69		Crippen Calculated Property
logPoct/wat	4.913		Crippen Calculated Property
McVol	294.010	ml/mol	McGowan Calculated Property
Pc	1062.40	kPa	Joback Calculated Property
Inp	[2621.00; 2621.00]
Inp	2621.00		NIST
Inp	2621.00		NIST
Tboil	938.35	K	Joback Calculated Property
Tc	1148.81	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, «omega»-PFB-oxime.

Sources

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

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