Chemical Properties of Hexachlorocyclopentadiene (CAS 77-47-4)

InChI

InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8

InChI Key

VUNCWTMEJYMOOR-UHFFFAOYSA-N

Formula

C5Cl6

SMILES

ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl

Molecular Weight¹

272.77

CAS

77-47-4

Other Names

• 1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene
• 1,2,3,4,5,5-Hexachloro-cyclopenta-1,3-diene
• 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
• 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-
• 1,3-Cyclopentadiene, hexachloro-
• C 56
• Cyclopentadiene, hexachloro-
• Graphlox
• HCCPD
• HRS 1655
• Hexachlorcyklopentadien
• Hexachloro-1,3-cyclopentadiene
• NCI-C55607
• NSC 9235
• Perchloro-1,3-cyclopentadiene
• Perchlorocyclopentadiene
• Rcra waste number U130
• UN 2646

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ΔcH°liquid	-2030.00 ± 3.00	kJ/mol	NIST
ΔfG°	-27.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-11.70 ± 4.40	kJ/mol	NIST
ΔfH°liquid	-79.20 ± 3.10	kJ/mol	NIST
ΔfusH°	22.41	kJ/mol	Joback Calculated Property
ΔvapH°	67.00 ± 1.00	kJ/mol	NIST
log10WS	-5.18		Aq. Sol...
logPoct/wat	4.552		Crippen Calculated Property
McVol	135.290	ml/mol	McGowan Calculated Property
Pc	3530.46	kPa	Joback Calculated Property
Inp	[228.10; 1328.00]
Inp	1314.30		NIST
Inp	1326.80		NIST
Inp	1328.00		NIST
Inp	1318.00		NIST
Inp	1318.00		NIST
Inp	Outlier 228.10		NIST
Tboil	572.14	K	Joback Calculated Property
Tc	830.91	K	Joback Calculated Property
Tfus	412.03	K	Joback Calculated Property
Vc	0.520	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.40; 222.01]	J/mol×K	[572.14; 830.91]
T(K) Ideal gas heat capacity (J/mol×K) 200 205 210 215 220 600 700 800
Cp,gas	201.40	J/mol×K	572.14	Joback Calculated Property
Cp,gas	205.15	J/mol×K	615.27	Joback Calculated Property
Cp,gas	208.54	J/mol×K	658.40	Joback Calculated Property
Cp,gas	211.76	J/mol×K	701.52	Joback Calculated Property
Cp,gas	214.97	J/mol×K	744.65	Joback Calculated Property
Cp,gas	218.33	J/mol×K	787.78	Joback Calculated Property
Cp,gas	222.01	J/mol×K	830.91	Joback Calculated Property
ΔsubH	73.60	kJ/mol	283.00	NIST
ΔvapH	53.70	kJ/mol	423.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.31e-03; 2930.13]	kPa	[284.49; 746.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.04916e+02
Coefficient B			-1.11253e+04
Coefficient C			-1.27868e+01
Coefficient D			4.60213e-06
Temperature range, min.			284.49
Temperature range, max.			746.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 400 600
Pvap	2.31e-03	kPa	284.49	Calculated Property
Pvap	0.13	kPa	335.77	Calculated Property
Pvap	1.96	kPa	387.05	Calculated Property
Pvap	13.98	kPa	438.33	Calculated Property
Pvap	60.34	kPa	489.61	Calculated Property
Pvap	185.64	kPa	540.88	Calculated Property
Pvap	452.22	kPa	592.16	Calculated Property
Pvap	935.51	kPa	643.44	Calculated Property
Pvap	1724.42	kPa	694.72	Calculated Property
Pvap	2930.13	kPa	746.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexachlorocyclopentadiene.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.