Chemical Properties of trans-2-Methyl-2-butenal oxime, o-[(pentafluorophenyl)methyl]-

InChI

InChI=1S/C12H10F5NO/c1-3-6(2)4-18-19-5-7-8(13)10(15)12(17)11(16)9(7)14/h3-4H,5H2,1-2H3/b6-3+,18-4?

InChI Key

WEZKZVIRASBEJE-BDUDBEHWSA-N

Formula

C12H10F5NO

SMILES

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

Molecular Weight¹

279.21

Other Names

• (E)-2-Methyl-2-butenal, PFBO # 1

• 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.
• 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	-1034.95	kJ/mol	Joback Calculated Property
ΔvapH°	49.57	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	3.851		Crippen Calculated Property
McVol	172.280	ml/mol	McGowan Calculated Property
Pc	1730.34	kPa	Joback Calculated Property
Inp	[1493.00; 1493.00]
Inp	1493.00		NIST
Inp	1493.00		NIST
Tboil	625.03	K	Joback Calculated Property
Tc	810.80	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-2-Methyl-2-butenal oxime, o-[(pentafluorophenyl)methyl]-.

Sources

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

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