Chemical Properties of 1-(8-Bromo-2,3,6,7-tetrahydrodibenzo[1,2-b; 4,5-b']difuran-4-yl-2-aminoethane, TFA

InChI

InChI=1S/C14H13BrF3NO3/c15-10-9-3-6-21-11(9)7(8-2-5-22-12(8)10)1-4-19-13(20)14(16,17)18/h1-6H2,(H,19,20)

InChI Key

LHOPHBFOOLNLLJ-UHFFFAOYSA-N

Formula

C14H13BrF3NO3

SMILES

OC(=NCCc1c2c(c(Br)c3c1OCC3)OCC2)C(F)(F)F

Molecular Weight¹

380.16

• 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	-881.38	kJ/mol	Joback Calculated Property
ΔvapH°	84.57	kJ/mol	Joback Calculated Property
log10WS	-4.72		Crippen Calculated Property
logPoct/wat	3.380		Crippen Calculated Property
McVol	208.740	ml/mol	McGowan Calculated Property
Pc	2372.59	kPa	Joback Calculated Property
Inp	[2257.00; 2309.00]
Inp	2257.00		NIST
Inp	2309.00		NIST
Inp	2257.00		NIST
Tboil	877.50	K	Joback Calculated Property
Tc	1098.71	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(8-Bromo-2,3,6,7-tetrahydrodibenzo[1,2-b; 4,5-b']difuran-4-yl-2-aminoethane, TFA.

Sources

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

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