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

InChI

InChI=1S/C15H16F5NO/c1-2-3-4-5-6-7-8-21-22-9-10-11(16)13(18)15(20)14(19)12(10)17/h6-8H,2-5,9H2,1H3/b7-6+,21-8?

InChI Key

VUNPAXMYDAHBIY-PQEUULQISA-N

Formula

C15H16F5NO

SMILES

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

Molecular Weight¹

321.29

• 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	-1087.08	kJ/mol	Joback Calculated Property
ΔvapH°	56.17	kJ/mol	Joback Calculated Property
log10WS	-6.45		Crippen Calculated Property
logPoct/wat	5.021		Crippen Calculated Property
McVol	214.550	ml/mol	McGowan Calculated Property
Pc	1374.80	kPa	Joback Calculated Property
Inp	[1711.00; 1723.00]
Inp	1711.00		NIST
Inp	1723.00		NIST
Inp	1711.00		NIST
I	2109.00		NIST
Tboil	693.79	K	Joback Calculated Property
Tc	873.99	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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