Chemical Properties of 2-Hydroxybenzaldehyde O-pentafluorophenylmethyl-oxime

InChI

InChI=1S/C14H8F5NO2/c15-10-8(11(16)13(18)14(19)12(10)17)6-22-20-5-7-3-1-2-4-9(7)21/h1-5,21H,6H2

InChI Key

BWNAPEPFRCHYRY-UHFFFAOYSA-N

Formula

C14H8F5NO2

SMILES

Oc1ccccc1C=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

317.21

Other Names

• 2-Hydroxybenzaldehyde O-2,3,4,5,6-PFBHA-oxime
• Salicylic aldehyde, PFBO # 1

• 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.
• I : 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	0.8047		Relay (1.0) Calculated Property
ΔfG°	-656.16	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-767.92	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	90.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	3.638		Crippen Calculated Property
McVol	186.870	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1845.00; 1845.00]
Inp	1845.00		NIST
Inp	1845.00		NIST
I	[2675.00; 2675.00]
I	2675.00		NIST
I	2675.00		NIST
Tboil	581.87	K	Relay (1.0) Calculated Property
Tc	834.95	K	Relay (1.0) Calculated Property
Tfus	371.28	K	Relay (1.0) Calculated Property
Vc	0.672	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxybenzaldehyde O-pentafluorophenylmethyl-oxime.

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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