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

InChI

InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3

InChI Key

FKRREVSELFOLDT-UHFFFAOYSA-N

Formula

C13H16BrNO2

SMILES

CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2

Molecular Weight¹

298.18

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.6867		Relay (... Calculated Property
ΔfG°	165.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-223.91	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.57	kJ/mol	Joback Calculated Property
ΔvapH°	90.68	kJ/mol	Relay (... Calculated Property
IE	7.81	eV	Relay (... Calculated Property
log10WS	-4.13		Relay (... Calculated Property
logPoct/wat	2.209		Crippen Calculated Property
McVol	187.770	ml/mol	McGowan Calculated Property
Pc	3199.16	kPa	Joback Calculated Property
Inp	[2168.00; 2226.00]
Inp	2168.00		NIST
Inp	2226.00		NIST
Inp	2168.00		NIST
Tboil	639.21	K	Relay (... Calculated Property
Tc	896.62	K	Relay (... Calculated Property
Tfus	415.12	K	Relay (... Calculated Property
Vc	0.710	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.95; 590.15]	J/mol×K	[763.39; 1012.11]
Cp,gas	519.95	J/mol×K	763.39	Joback Calculated Property
Cp,gas	533.18	J/mol×K	804.84	Joback Calculated Property
Cp,gas	545.61	J/mol×K	846.30	Joback Calculated Property
Cp,gas	557.38	J/mol×K	887.75	Joback Calculated Property
Cp,gas	568.64	J/mol×K	929.20	Joback Calculated Property
Cp,gas	579.51	J/mol×K	970.66	Joback Calculated Property
Cp,gas	590.15	J/mol×K	1012.11	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-aminopropane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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