Chemical Properties of 10-Undecenal, PFBO # 1

InChI

InChI=1S/C18H22F5NO/c1-2-3-4-5-6-7-8-9-10-11-24-25-12-13-14(19)16(21)18(23)17(22)15(13)20/h2,11H,1,3-10,12H2

InChI Key

RNOVLPZWKHTRBO-UHFFFAOYSA-N

Formula

C18H22F5NO

SMILES

C=CCCCCCCCCC=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

363.37

• 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.
• I : 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	-1140.79	kJ/mol	Joback Calculated Property
ΔvapH°	62.22	kJ/mol	Joback Calculated Property
log10WS	-7.71		Crippen Calculated Property
logPoct/wat	6.191		Crippen Calculated Property
McVol	256.820	ml/mol	McGowan Calculated Property
Pc	1114.82	kPa	Joback Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
I	[2298.00; 2298.00]
I	2298.00		NIST
I	2298.00		NIST
Tboil	754.95	K	Joback Calculated Property
Tc	933.88	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 10-Undecenal, PFBO # 1.

Sources

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

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