Chemical Properties of Bicyclo[2.2.1]hept-2-ene, 5-(bromomethyl)-1,2,3,4,7,7-hexachloro-

InChI

InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2

InChI Key

DAASOABUJRMZAD-UHFFFAOYSA-N

Formula

C8H5BrCl6

SMILES

ClC1=C(Cl)C2(Cl)C(CBr)CC1(Cl)C2(Cl)Cl

Molecular Weight¹

393.75

Other Names

• 2-Norbornene, 5-(bromomethyl)-1,2,3,4,7,7-hexachloro-
• 5-(Bromomethyl)-1,2,3,4,7,7-hexachloro-2-norbornene
• 5-(Bromomethyl)-1,2,3,4,7,7-hexachloro-norbornene
• 5-(Bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo(2.2.1)hept-2-ene
• Alugan
• Bromociclen
• Bromocyclen
• Bromocyclene
• Bromodan
• Bromomethyl-1,2,3,4,7,7-hexachloro-2-norbornene
• Bromomethylhexachlorobicycloheptene
• ENT 23393
• SD 2774

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.20; 449.93]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.26169e+02
Coefficient B			1.78270e+00
Coefficient C			-2.33940e-03
Coefficient D			1.13280e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.20	J/mol×K	273.00	Calculated Property
Cp,gas	261.87	J/mol×K	353.78	Calculated Property
Cp,gas	299.70	J/mol×K	434.56	Calculated Property
Cp,gas	326.28	J/mol×K	515.33	Calculated Property
Cp,gas	345.17	J/mol×K	596.11	Calculated Property
Cp,gas	359.98	J/mol×K	676.89	Calculated Property
Cp,gas	374.28	J/mol×K	757.67	Calculated Property
Cp,gas	391.65	J/mol×K	838.44	Calculated Property
Cp,gas	415.67	J/mol×K	919.22	Calculated Property
Cp,gas	449.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-2-ene, 5-(bromomethyl)-1,2,3,4,7,7-hexachloro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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