Chemical Properties of Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 1,4,5,6,7,7-hexachloro- (CAS 39234-24-7)

InChI

InChI=1S/C8H4Cl6O/c9-4-5(10)7(12)3(2-15)1-6(4,11)8(7,13)14/h2-3H,1H2

InChI Key

JYYQMATWCIEKAT-UHFFFAOYSA-N

Formula

C8H4Cl6O

SMILES

O=CC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

Molecular Weight¹

328.83

CAS

39234-24-7

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[200.13; 431.64]	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			-1.22960e+02
Coefficient B			1.71900e+00
Coefficient C			-2.26100e-03
Coefficient D			1.09660e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.13	J/mol×K	273.00	Calculated Property
Cp,gas	250.76	J/mol×K	353.78	Calculated Property
Cp,gas	287.06	J/mol×K	434.56	Calculated Property
Cp,gas	312.52	J/mol×K	515.33	Calculated Property
Cp,gas	330.60	J/mol×K	596.11	Calculated Property
Cp,gas	344.77	J/mol×K	676.89	Calculated Property
Cp,gas	358.48	J/mol×K	757.67	Calculated Property
Cp,gas	375.22	J/mol×K	838.44	Calculated Property
Cp,gas	398.45	J/mol×K	919.22	Calculated Property
Cp,gas	431.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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

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