Chemical Properties of 3,5-Difluoromethylbenzylamine, N-(4-pyridyl)methylene-

InChI

InChI=1S/C15H10F6N2/c16-14(17,18)12-5-11(6-13(7-12)15(19,20)21)9-23-8-10-1-3-22-4-2-10/h1-8H,9H2

InChI Key

MYBPPYMAKYKVLW-UHFFFAOYSA-N

Formula

C15H10F6N2

SMILES

FC(F)(F)c1cc(CN=Cc2ccncc2)cc(C(F)(F)F)c1

Molecular Weight¹

332.24

• 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	0.6287		Relay (1.0) Calculated Property
ΔfG°	-723.44	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-977.46	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	4.738		Crippen Calculated Property
McVol	200.970	ml/mol	McGowan Calculated Property
Pc	1869.79	kPa	Relay (1.0-beta) Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	588.16	K	Relay (1.0) Calculated Property
Tc	841.84	K	Relay (1.0) Calculated Property
Tfus	396.30	K	Relay (1.0) Calculated Property
Vc	0.737	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Difluoromethylbenzylamine, N-(4-pyridyl)methylene-.

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
• McGowan Method
• NIST Webbook

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