Chemical Properties of 2-Nonanone, PFBO # 1

InChI

InChI=1S/C16H20F5NO/c1-3-4-5-6-7-8-10(2)22-23-9-11-12(17)14(19)16(21)15(20)13(11)18/h3-9H2,1-2H3

InChI Key

NTPHAYZXDDTUAG-UHFFFAOYSA-N

Formula

C16H20F5NO

SMILES

CCCCCCCC(C)=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

337.33

• 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	-1234.73	kJ/mol	Joback Calculated Property
ΔvapH°	58.52	kJ/mol	Joback Calculated Property
log10WS	-7.02		Crippen Calculated Property
logPoct/wat	5.635		Crippen Calculated Property
McVol	232.940	ml/mol	McGowan Calculated Property
Pc	1239.83	kPa	Joback Calculated Property
Inp	1664.00		NIST
I	[1925.00; 1925.00]
I	1925.00		NIST
I	1925.00		NIST
Tboil	712.39	K	Joback Calculated Property
Tc	889.65	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonanone, PFBO # 1.

Sources

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

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