Chemical Properties of (E, E)-2,4-Nonal, pentafluorobenzyl oxime

InChI

InChI=1S/C16H16F5NO/c1-2-3-4-5-6-7-8-9-22-23-10-11-12(17)14(19)16(21)15(20)13(11)18/h5-9H,2-4,10H2,1H3/b6-5+,8-7+,22-9?

InChI Key

DEXKLLPZRSMCAS-RAOHWXIMSA-N

Formula

C16H16F5NO

SMILES

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

Molecular Weight¹

333.30

Other Names

• (E,E)-2,4-Nonadienal, PFBO # 2

• 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	-990.50	kJ/mol	Joback Calculated Property
ΔvapH°	58.35	kJ/mol	Joback Calculated Property
log10WS	-6.73		Crippen Calculated Property
logPoct/wat	5.187		Crippen Calculated Property
McVol	224.340	ml/mol	McGowan Calculated Property
Pc	1331.01	kPa	Joback Calculated Property
Inp	[1906.00; 1906.00]
Inp	1906.00		NIST
Inp	1906.00		NIST
I	[2392.00; 2392.00]
I	2392.00		NIST
I	2392.00		NIST
Tboil	720.83	K	Joback Calculated Property
Tc	905.72	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E, E)-2,4-Nonal, pentafluorobenzyl oxime.

Sources

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

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