Chemical Properties of 2C-B-fly

InChI

InChI=1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2

InChI Key

YZDFADGMVOSVIX-UHFFFAOYSA-N

Formula

C12H14BrNO2

SMILES

NCCc1c2c(c(Br)c3c1OCC3)OCC2

Molecular Weight¹

284.15

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.50	kJ/mol	Joback Calculated Property
logPoct/wat	1.820		Crippen Calculated Property
McVol	173.680	ml/mol	McGowan Calculated Property
Inp	[2133.00; 2226.00]
Inp	2133.00		NIST
Inp	2226.00		NIST
Inp	2133.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[467.27; 532.67]	J/mol×K	[741.15; 990.42]
Cp,gas	467.27	J/mol×K	741.15	Joback Calculated Property
Cp,gas	479.64	J/mol×K	782.69	Joback Calculated Property
Cp,gas	491.24	J/mol×K	824.24	Joback Calculated Property
Cp,gas	502.21	J/mol×K	865.78	Joback Calculated Property
Cp,gas	512.68	J/mol×K	907.33	Joback Calculated Property
Cp,gas	522.79	J/mol×K	948.87	Joback Calculated Property
Cp,gas	532.67	J/mol×K	990.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2C-B-fly.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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