Chemical Properties of Bromo-DragonFLY (CAS 219986-78-4)

InChI

InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3

InChI Key

GIKPTWKWYXCBEC-UHFFFAOYSA-N

Formula

C13H12BrNO2

SMILES

CC(N)Cc1c2ccoc2c(Br)c2ccoc12

Molecular Weight¹

294.14

CAS

219986-78-4

Other Names

• 1-(8-Bromo-dibenzo[1,2-b; 4,5-b']difuran-4-yl-2-aminopropane

• 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	0.6460		Relay (... Calculated Property
ΔfG°	99.65	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-62.03	kJ/mol	Relay (... Calculated Property
ΔvapH°	95.70	kJ/mol	Relay (... Calculated Property
IE	8.06	eV	Relay (... Calculated Property
log10WS	-4.30		Relay (... Calculated Property
logPoct/wat	3.831		Crippen Calculated Property
McVol	179.170	ml/mol	McGowan Calculated Property
Pc	2502.21	kPa	Relay (... Calculated Property ⚠️
Inp	[2038.00; 2087.00]
Inp	2038.00		NIST
Inp	2087.00		NIST
Inp	2038.00		NIST
Tboil	657.26	K	Relay (... Calculated Property
Tc	920.39	K	Relay (... Calculated Property
Tfus	409.93	K	Relay (... Calculated Property
Vc	0.678	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Bromo-DragonFLY.

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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