Chemical Properties of Chlorbicyclen (CAS 2550-75-6)

InChI

InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2

InChI Key

FUZORIOHZSVKAW-UHFFFAOYSA-N

Formula

C9H6Cl8

SMILES

ClCC1C(CCl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

Molecular Weight¹

397.77

CAS

2550-75-6

Other Names

• 1,2,3,4,7,7-Hexachloro-5,6-bis(chloromethyl)-2-norbornene
• 2,3-Bis(chloromethyl)-1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hept-4-ene
• 2-Norbornene, 1,2,3,4,7,7-Hexachloro-5,6-bis(chloromethyl)-
• 5,6-Bis-(chloromethyl)-1,2,3,4,7,7-hexachlorobicyclo-(2,2,1)-2-heptene
• AC 12402
• Allodan
• Alodan
• Alodan (pesticide)
• Bicyclo[2.2.1]hept-2-ene, 1,2,3,4,7,7-hexachloro-5,6-bis(chloromethyl)-
• Cyclodan
• Hercules 12402
• Hercules 426
• NSC 41891
• Nodon

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.57	kJ/mol	Joback Calculated Property
logPoct/wat	5.542		Crippen Calculated Property
McVol	209.570	ml/mol	McGowan Calculated Property
Inp	[1979.90; 2013.70]
Inp	1979.90		NIST
Inp	2013.70		NIST
Tfus	378.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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	[245.50; 515.65]	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			-1.03548e+02
Coefficient B			1.82660e+00
Coefficient C			-2.30780e-03
Coefficient D			1.10040e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.50	J/mol×K	273.00	Calculated Property
Cp,gas	302.55	J/mol×K	353.78	Calculated Property
Cp,gas	344.71	J/mol×K	434.56	Calculated Property
Cp,gas	375.48	J/mol×K	515.33	Calculated Property
Cp,gas	398.33	J/mol×K	596.11	Calculated Property
Cp,gas	416.75	J/mol×K	676.89	Calculated Property
Cp,gas	434.21	J/mol×K	757.67	Calculated Property
Cp,gas	454.19	J/mol×K	838.44	Calculated Property
Cp,gas	480.18	J/mol×K	919.22	Calculated Property
Cp,gas	515.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Chlorbicyclen.

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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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