Chemical Properties of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro- (CAS 115-28-6)

InChI

InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)

InChI Key

DJKGDNKYTKCJKD-UHFFFAOYSA-N

Formula

C9H4Cl6O4

SMILES

O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

Molecular Weight¹

388.84

CAS

115-28-6

Other Names

• 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-
• Chlorendic acid
• Hexachloroendomethylenetetrahydrophthalic acid
• HET acid
• Kyselina het
• Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-«delta»(4)-tetrahyroftalova
• NCI-C55072
• Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-«delta»(4)-tetrahydroftalova
• Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova
• Bicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-
• 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid
• 1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid
• 2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
• NSC 22231
• 1,4,5,6,7,7-hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic acid

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.24; 631.45]	J/mol×K	[935.58; 1169.50]
Cp,gas	486.24	J/mol×K	935.58	Joback Calculated Property
Cp,gas	502.48	J/mol×K	974.57	Joback Calculated Property
Cp,gas	521.39	J/mol×K	1013.55	Joback Calculated Property
Cp,gas	543.36	J/mol×K	1052.54	Joback Calculated Property
Cp,gas	568.77	J/mol×K	1091.53	Joback Calculated Property
Cp,gas	598.00	J/mol×K	1130.51	Joback Calculated Property
Cp,gas	631.45	J/mol×K	1169.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-.

Sources

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

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