Chemical Properties of (E)-2-Dodecenal, PFBO # 1

InChI

InChI=1S/C19H24F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-25-26-13-14-15(20)17(22)19(24)18(23)16(14)21/h10-12H,2-9,13H2,1H3/b11-10+,25-12?

InChI Key

PFBICGCCBITBKY-CVWUSQQBSA-N

Formula

C19H24F5NO

SMILES

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

Molecular Weight¹

377.39

• 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	-1169.64	kJ/mol	Joback Calculated Property
ΔvapH°	65.07	kJ/mol	Joback Calculated Property
log10WS	-8.13		Crippen Calculated Property
logPoct/wat	6.581		Crippen Calculated Property
McVol	270.910	ml/mol	McGowan Calculated Property
Pc	1053.46	kPa	Joback Calculated Property
Inp	[2091.00; 2091.00]
Inp	2091.00		NIST
Inp	2091.00		NIST
I	[2501.00; 2501.00]
I	2501.00		NIST
I	2501.00		NIST
Tboil	785.31	K	Joback Calculated Property
Tc	968.29	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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