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

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

• 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	366.71	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[425.61; 507.90]	J/mol×K	[718.34; 984.40]
Cp,gas	425.61	J/mol×K	718.34	Joback Calculated Property
Cp,gas	435.34	J/mol×K	762.68	Joback Calculated Property
Cp,gas	445.90	J/mol×K	807.03	Joback Calculated Property
Cp,gas	457.86	J/mol×K	851.37	Joback Calculated Property
Cp,gas	471.79	J/mol×K	895.71	Joback Calculated Property
Cp,gas	488.28	J/mol×K	940.06	Joback Calculated Property
Cp,gas	507.90	J/mol×K	984.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chlorbicyclen.

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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