Chemical Properties of 1-Octen-3-one, PFBO # 2

InChI

InChI=1S/C15H16F5NO/c1-3-5-6-7-9(4-2)21-22-8-10-11(16)13(18)15(20)14(19)12(10)17/h4H,2-3,5-8H2,1H3

InChI Key

ZPCOAJFNCZJQLD-UHFFFAOYSA-N

Formula

C15H16F5NO

SMILES

C=CC(CCCCC)=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	-1088.66	kJ/mol	Joback Calculated Property
ΔvapH°	55.62	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	1369.71	kPa	Joback Calculated Property
Inp	[1578.00; 1578.00]
Inp	1578.00		NIST
Inp	1578.00		NIST
I	[1880.00; 1880.00]
I	1880.00		NIST
I	1880.00		NIST
Tboil	686.19	K	Joback Calculated Property
Tc	865.35	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Octen-3-one, PFBO # 2.

Sources

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

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