Chemical Properties of Cyclopentene, octachloro-

InChI

InChI=1S/C5Cl8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9

InChI Key

DMZRCHJVWAKCAX-UHFFFAOYSA-N

Formula

C5Cl8

SMILES

ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl

Molecular Weight¹

343.68

Other Names

• NSC 4736
• Octachlorocyclopentene
• Perchlorocyclopentene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-1979.60 ± 1.80	kJ/mol	NIST
ΔfH°gas	-96.70 ± 3.30	kJ/mol	NIST
ΔfH°liquid	-176.80 ± 2.00	kJ/mol	NIST
ΔfusH°	19.91	kJ/mol	Joback Calculated Property
ΔvapH°	80.00 ± 1.00	kJ/mol	NIST
logPoct/wat	5.211		Crippen Calculated Property
McVol	164.070	ml/mol	McGowan Calculated Property
Inp	[1601.80; 1618.80]
Inp	1601.80		NIST
Inp	1618.80		NIST
Inp	1601.80		NIST
Tboil	556.20	K	NIST
Tfus	313.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[176.94; 324.67]	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			-6.07300e+01
Coefficient B			1.31260e+00
Coefficient C			-1.87900e-03
Coefficient D			9.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.94	J/mol×K	273.00	Calculated Property
Cp,gas	210.61	J/mol×K	353.78	Calculated Property
Cp,gas	232.95	J/mol×K	434.56	Calculated Property
Cp,gas	246.95	J/mol×K	515.33	Calculated Property
Cp,gas	255.64	J/mol×K	596.11	Calculated Property
Cp,gas	262.02	J/mol×K	676.89	Calculated Property
Cp,gas	269.11	J/mol×K	757.67	Calculated Property
Cp,gas	279.90	J/mol×K	838.44	Calculated Property
Cp,gas	297.42	J/mol×K	919.22	Calculated Property
Cp,gas	324.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentene, octachloro-.

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

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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.
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