Chemical Properties of 2-Methylpentanal oxime, o-[(pentafluorophenyl)methyl]-

InChI

InChI=1S/C13H14F5NO/c1-3-4-7(2)5-19-20-6-8-9(14)11(16)13(18)12(17)10(8)15/h5,7H,3-4,6H2,1-2H3

InChI Key

IOULWMZNMCBDQK-UHFFFAOYSA-N

Formula

C13H14F5NO

SMILES

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

Molecular Weight¹

295.25

Other Names

• 2-Methylpentanal, PFBO # 2

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6869		Relay (... Calculated Property
ΔfG°	-618.04	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-800.43	kJ/mol	Relay (... Calculated Property
ΔvapH°	64.39	kJ/mol	Relay (... Calculated Property
IE	8.91	eV	Relay (... Calculated Property
log10WS	-5.91		Relay (... Calculated Property
logPoct/wat	4.321		Crippen Calculated Property
McVol	190.670	ml/mol	McGowan Calculated Property
Pc	1539.08	kPa	Joback Calculated Property
Inp	[1393.00; 1393.00]
Inp	1393.00		NIST
Inp	1393.00		NIST
Tboil	498.05	K	Relay (... Calculated Property
Tc	695.91	K	Relay (... Calculated Property
Tfus	292.85	K	Relay (... Calculated Property
Vc	0.704	m3/kmol	Relay (... Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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