Chemical Properties of n-Heptanal, o-[(pentafluorophenyl)methyl]oxime

InChI

InChI=1S/C14H16F5NO/c1-2-3-4-5-6-7-20-21-8-9-10(15)12(17)14(19)13(18)11(9)16/h7H,2-6,8H2,1H3

InChI Key

OZZBQOMRSSEYJF-UHFFFAOYSA-N

Formula

C14H16F5NO

SMILES

CCCCCCC=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

309.27

Other Names

• Heptanal, 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.
• 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	0.7772		Relay (1.0) Calculated Property
ΔfG°	-606.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-808.87	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-6.40		Relay (1.0) Calculated Property
logPoct/wat	4.855		Crippen Calculated Property
McVol	204.760	ml/mol	McGowan Calculated Property
Pc	1420.78	kPa	Joback Calculated Property
Inp	[1558.00; 1558.00]
Inp	1558.00		NIST
Inp	1558.00		NIST
I	1861.00		NIST
Tboil	521.22	K	Relay (1.0) Calculated Property
Tc	714.33	K	Relay (1.0) Calculated Property
Tfus	310.05	K	Relay (1.0) Calculated Property
Vc	0.768	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to n-Heptanal, o-[(pentafluorophenyl)methyl]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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