Chemical Properties of Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- (CAS 55334-05-9)

InChI

InChI=1S/C17H14F5NO2/c1-24-11-4-3-9(7-12(11)25-2)5-6-23-8-10-13(18)15(20)17(22)16(21)14(10)19/h3-4,7-8H,5-6H2,1-2H3

InChI Key

OVZBSJFTHDKGIV-UHFFFAOYSA-N

Formula

C17H14F5NO2

SMILES

COc1ccc(CCN=Cc2c(F)c(F)c(F)c(F)c2F)cc1OC

Molecular Weight¹

359.29

CAS

55334-05-9

Other Names

• 2-(3,4-Dimethoxyphenyl)ethylamine, PFB-imine

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1164.21	kJ/mol	Joback Calculated Property
ΔvapH°	66.67	kJ/mol	Joback Calculated Property
log10WS	-5.47		Crippen Calculated Property
logPoct/wat	4.061		Crippen Calculated Property
McVol	229.140	ml/mol	McGowan Calculated Property
Pc	1416.50	kPa	Joback Calculated Property
Inp	[2075.00; 2075.00]
Inp	2075.00		NIST
Inp	2075.00		NIST
Tboil	794.45	K	Joback Calculated Property
Tc	995.06	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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