Chemical Properties of (E)-2-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/h9-11H,2-8,12H2,1H3/b10-9+,24-11?

InChI Key

AYQISSBFOHSKLD-AOQMIXORSA-N

Formula

C18H22F5NO

SMILES

CCCCCCCCC=CC=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	-1149.00	kJ/mol	Joback Calculated Property
ΔvapH°	62.84	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	1122.31	kPa	Joback Calculated Property
Inp	[1998.00; 1998.00]
Inp	1998.00		NIST
Inp	1998.00		NIST
I	[2402.00; 2402.00]
I	2402.00		NIST
I	2402.00		NIST
Tboil	762.43	K	Joback Calculated Property
Tc	943.83	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-2-Undecenal, PFBO # 1.

Sources

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

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