Chemical Properties of 2,2,4,4,6-Pentachloro-5-cyclohexene-1,3-dione (CAS 15679-05-7)

InChI

InChI=1S/C6HCl5O2/c7-2-1-5(8,9)4(13)6(10,11)3(2)12/h1H

InChI Key

NTFAWJMNLRUDJB-UHFFFAOYSA-N

Formula

C6HCl5O2

SMILES

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

Molecular Weight¹

282.34

CAS

15679-05-7

• 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).
• 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	[272.98; 332.37]	J/mol×K	[678.97; 970.46]
Cp,gas	272.98	J/mol×K	678.97	Joback Calculated Property
Cp,gas	281.60	J/mol×K	727.55	Joback Calculated Property
Cp,gas	290.33	J/mol×K	776.13	Joback Calculated Property
Cp,gas	299.47	J/mol×K	824.72	Joback Calculated Property
Cp,gas	309.33	J/mol×K	873.30	Joback Calculated Property
Cp,gas	320.19	J/mol×K	921.88	Joback Calculated Property
Cp,gas	332.37	J/mol×K	970.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,4,4,6-Pentachloro-5-cyclohexene-1,3-dione.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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