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

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

Other Names

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

• 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	[245.94; 520.67]	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			-1.20130e+02
Coefficient B			1.91460e+00
Coefficient C			-2.41220e-03
Coefficient D			1.13840e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.94	J/mol×K	273.00	Calculated Property
Cp,gas	305.71	J/mol×K	353.78	Calculated Property
Cp,gas	349.77	J/mol×K	434.56	Calculated Property
Cp,gas	381.72	J/mol×K	515.33	Calculated Property
Cp,gas	405.16	J/mol×K	596.11	Calculated Property
Cp,gas	423.68	J/mol×K	676.89	Calculated Property
Cp,gas	440.90	J/mol×K	757.67	Calculated Property
Cp,gas	460.40	J/mol×K	838.44	Calculated Property
Cp,gas	485.79	J/mol×K	919.22	Calculated Property
Cp,gas	520.67	J/mol×K	1000.00	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

• 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

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.
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.
These property values are available through the Cheméo API. A free account gives you an access key.