Chemical Properties of Benzeneethanamine, N-[(pentafluorophenyl)methylene]- (CAS 29723-34-0)

InChI

InChI=1S/C15H10F5N/c16-11-10(12(17)14(19)15(20)13(11)18)8-21-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChI Key

BXRZDFUZOZNVLT-UHFFFAOYSA-N

Formula

C15H10F5N

SMILES

Fc1c(F)c(F)c(C=NCCc2ccccc2)c(F)c1F

Molecular Weight¹

299.24

CAS

29723-34-0

Other Names

• Phenethylamine, N-(2,3,4,5,6-pentafluorobenzylidene)-
• Pentafluorobenzaldehyde N-(phenethyl)imine
• 2-Phenylethylamine, PFB-imine

• 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

Similar Compounds

Find more compounds similar to Benzeneethanamine, N-[(pentafluorophenyl)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
• Joback Method
• McGowan Method
• NIST Webbook

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