Chemical Properties of Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decachloro-

InChI

InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18

InChI Key

LWLJUMBEZJHXHV-UHFFFAOYSA-N

Formula

C10Cl10

SMILES

ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl

Molecular Weight¹

474.64

Other Names

• 1,1',2,2',3,3',4,4',5,5'-Decachlorobi-2,4-cyclopentadien-1-yl
• 1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachloro-1-cyclopenta-2,4-dienyl)cyclopenta-1,3-diene
• Bi-2,4-cyclopentadien-1-yl, decachloro-
• Bis(pentachlor-2,4-cyclopentadien-1-yl)
• Bis(pentachloro-2,4-cyclopentadien-1-yl)
• Bis(pentachlorocyclopentadienyl)
• Decachlor
• Decachlorobi-2,4-cyclopentadien-1-yl
• Decachlorobi-2,4-cyclopentadiene-1-yl
• Decachlorobis(2,4-cyclopentadiene-1-yl)
• Dienochlor
• Dienochlore
• ENT 25,718
• HRS 16
• HRS 1654
• HRS 16A
• Hooker HRS 1654
• Hooker HRS-16
• NSC 26106
• NSC 41880
• Pentac
• Pentac SP
• Pentac WP
• Pentac aquaflow

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	42.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.68	kJ/mol	Joback Calculated Property
ΔvapH°	100.53	kJ/mol	Relay (1.0) Calculated Property
log10WS	[-7.28; -7.28]
log10WS	-7.28		Aq. Solubility Prediction
log10WS	-7.28		Estimated Solubility
logPoct/wat	7.726		Crippen Calculated Property
McVol	235.240	ml/mol	McGowan Calculated Property
Tboil	589.31	K	Relay (1.0) Calculated Property
Tfus	395.15	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 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	[271.87; 449.67]	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			4.72700e+01
Coefficient B			1.16900e+00
Coefficient C			-1.45700e-03
Coefficient D			6.90400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.87	J/mol×K	273.00	Calculated Property
Cp,gas	309.05	J/mol×K	353.78	Calculated Property
Cp,gas	336.78	J/mol×K	434.56	Calculated Property
Cp,gas	357.25	J/mol×K	515.33	Calculated Property
Cp,gas	372.63	J/mol×K	596.11	Calculated Property
Cp,gas	385.10	J/mol×K	676.89	Calculated Property
Cp,gas	396.86	J/mol×K	757.67	Calculated Property
Cp,gas	410.09	J/mol×K	838.44	Calculated Property
Cp,gas	426.96	J/mol×K	919.22	Calculated Property
Cp,gas	449.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decachloro-.

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)
• 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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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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