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

InChI

InChI=1S/C16H18F5NO/c1-2-3-4-5-6-7-8-9-22-23-10-11-12(17)14(19)16(21)15(20)13(11)18/h7-9H,2-6,10H2,1H3/b8-7+,22-9?

InChI Key

PXJSNFYKIQVDCV-CRRUHHOKSA-N

Formula

C16H18F5NO

SMILES

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

Molecular Weight¹

335.31

• 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	-1107.72	kJ/mol	Joback Calculated Property
ΔvapH°	58.39	kJ/mol	Joback Calculated Property
log10WS	-6.87		Crippen Calculated Property
logPoct/wat	5.411		Crippen Calculated Property
McVol	228.640	ml/mol	McGowan Calculated Property
Pc	1281.91	kPa	Joback Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
I	[2200.00; 2200.00]
I	2200.00		NIST
I	2200.00		NIST
Tboil	716.67	K	Joback Calculated Property
Tc	896.74	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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