Chemical Properties of 2-Methyl-3-heptanone, PFBO # 1

InChI

InChI=1S/C15H18F5NO/c1-4-5-6-10(8(2)3)21-22-7-9-11(16)13(18)15(20)14(19)12(9)17/h8H,4-7H2,1-3H3

InChI Key

MVHPLUGMPFYDEJ-UHFFFAOYSA-N

Formula

C15H18F5NO

SMILES

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

Molecular Weight¹

323.30

• 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	-1219.37	kJ/mol	Joback Calculated Property
ΔvapH°	55.90	kJ/mol	Joback Calculated Property
log10WS	-6.36		Crippen Calculated Property
logPoct/wat	5.101		Crippen Calculated Property
McVol	218.850	ml/mol	McGowan Calculated Property
Pc	1335.88	kPa	Joback Calculated Property
Inp	[1481.00; 1481.00]
Inp	1481.00		NIST
Inp	1481.00		NIST
I	1671.00		NIST
Tboil	689.07	K	Joback Calculated Property
Tc	868.47	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-heptanone, PFBO # 1.

Sources

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

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