Chemical Properties of 3-Methylbutanal oxime, o-[(pentafluorophenyl)methyl]-

InChI

InChI=1S/C12H12F5NO/c1-6(2)3-4-18-19-5-7-8(13)10(15)12(17)11(16)9(7)14/h4,6H,3,5H2,1-2H3

InChI Key

HNAOVROTLABYSA-UHFFFAOYSA-N

Formula

C12H12F5NO

SMILES

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

Molecular Weight¹

281.22

Other Names

• 3-Methylbutanal, PFBO # 2

• 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	-1147.66	kJ/mol	Joback Calculated Property
ΔvapH°	49.14	kJ/mol	Joback Calculated Property
log10WS	-5.10		Crippen Calculated Property
logPoct/wat	3.931		Crippen Calculated Property
McVol	176.580	ml/mol	McGowan Calculated Property
Pc	1661.90	kPa	Joback Calculated Property
Inp	[1328.00; 1328.00]
Inp	1328.00		NIST
Inp	1328.00		NIST
I	[1618.00; 1618.00]
I	1618.00		NIST
I	1618.00		NIST
Tboil	620.55	K	Joback Calculated Property
Tc	800.34	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylbutanal oxime, o-[(pentafluorophenyl)methyl]-.

Sources

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

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