Chemical Properties of 2-Pentanone, 4-methyl-4-methylthio, PFBO # 1

InChI

InChI=1S/C14H16F5NOS/c1-7(5-14(2,3)22-4)20-21-6-8-9(15)11(17)13(19)12(18)10(8)16/h5-6H2,1-4H3

InChI Key

NFLXDNDDKYWMBT-UHFFFAOYSA-N

Formula

C14H16F5NOS

SMILES

CSC(C)(C)CC(C)=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

341.34

• 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	-1160.33	kJ/mol	Joback Calculated Property
ΔvapH°	59.58	kJ/mol	Joback Calculated Property
log10WS	-6.18		Crippen Calculated Property
logPoct/wat	4.806		Crippen Calculated Property
McVol	221.110	ml/mol	McGowan Calculated Property
Pc	1465.73	kPa	Joback Calculated Property
Inp	[1969.00; 1969.00]
Inp	1969.00		NIST
Inp	1969.00		NIST
I	2098.00		NIST
Tboil	732.18	K	Joback Calculated Property
Tc	931.06	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanone, 4-methyl-4-methylthio, PFBO # 1.

Sources

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

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