Chemical Properties of Ethane, hexachloro- (CAS 67-72-1)

InChI

InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8

InChI Key

VHHHONWQHHHLTI-UHFFFAOYSA-N

Formula

C2Cl6

SMILES

ClC(Cl)(Cl)C(Cl)(Cl)Cl

Molecular Weight¹

236.74

CAS

67-72-1

Other Names

• 1,1,1,2,2,2-Hexachloroethane
• Avlothane
• C2Cl6
• CCl3CCl3
• Carbon hexachloride
• Distokal
• Distopan
• Distopin
• Egitol
• Ethane hexachloride
• Ethane, 1,1,1,2,2,2-hexachloro-
• Ethylene hexachloride
• Falkitol
• Fasciolin
• Fron 110
• Hexachlor-aethan
• Hexachlorethane
• Hexachloroethylene
• Mottenhexe
• NA 9037
• NCI-C04604
• NSC 9224
• Phenohep
• Rcra waste number U131
• hexachloroethane
• perchloroethane

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• IE : Ionization energy (eV).
• 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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2750		KDB
ΔcH°solid	-727.00 ± 8.00	kJ/mol	NIST
EA	1.48 ± 0.10	eV	NIST
ΔfG°	-99.94	kJ/mol	Joback Calculated Property
ΔfH°gas	[-148.20; -143.50]	kJ/mol
ΔfH°gas	-148.20 ± 5.70	kJ/mol	NIST
ΔfH°gas	-143.50 ± 9.40	kJ/mol	NIST
ΔfH°liquid	-199.20 ± 6.10	kJ/mol	NIST
ΔfusH°	11.29	kJ/mol	Joback Calculated Property
ΔsubH°	59.00 ± 0.80	kJ/mol	NIST
ΔvapH°	51.00 ± 2.30	kJ/mol	NIST
IE	[11.10; 11.22]	eV
IE	11.10	eV	NIST
IE	11.22	eV	NIST
IE	11.22	eV	NIST
log10WS	[-3.67; -3.67]
log10WS	-3.67		Aq. Solubility Prediction
log10WS	-3.67		Estimated Solubility
logPoct/wat	3.727		Crippen Calculated Property
McVol	112.480	ml/mol	McGowan Calculated Property
Pc	3940.00	kPa	KDB
Inp	[176.00; 1085.00]
Inp	1068.00		NIST
Inp	1081.00		NIST
Inp	1053.00		NIST
Inp	1058.00		NIST
Inp	1057.80		NIST
Inp	1062.00		NIST
Inp	1070.00		NIST
Inp	1070.00		NIST
Inp	1056.00		NIST
Inp	1064.00		NIST
Inp	1062.00		NIST
Inp	1055.00		NIST
Inp	1055.00		NIST
Inp	1057.00		NIST
Inp	1085.00		NIST
Inp	Outlier 176.00		NIST
Inp	1062.00		NIST
Inp	1068.00		NIST
I	[1400.00; 1461.57]
I	1444.17		NIST
I	1461.57		NIST
I	1426.53		NIST
I	1400.00		NIST
I	1400.00		NIST
I	1400.00		NIST
I	1444.17		NIST
S°solid,1 bar	237.30	J/mol×K	NIST
Tboil	[458.00; 459.20]	K
Tboil	459.20	K	KDB
Tboil	458.00 ± 1.00	K	NIST
Tboil	458.00 ± 1.00	K	NIST
Tc	704.40	K	KDB
Tfus	[455.00; 461.98]	K
Tfus	458.00	K	KDB
Tfus	461.98	K	Aq. Solubility Prediction
Tfus	455.00 ± 6.00	K	NIST
Tfus	460.00 ± 1.00	K	NIST
Tfus	459.00 ± 3.00	K	NIST
Tfus	458.90 ± 2.00	K	NIST
Tfus	455.00 ± 5.00	K	NIST
Tfus	458.15 ± 1.00	K	NIST
Tfus	458.00 ± 2.00	K	NIST
Vc	0.419	m3/kmol	KDB
Zc	0.2822100		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[198.24; 218.00]	J/mol×K	[298.15; 298.50]
Cp,solid	198.24	J/mol×K	298.15	NIST
Cp,solid	218.00	J/mol×K	298.50	NIST
ΔfusH	[2.57; 9.75]	kJ/mol	[318.00; 458.00]
ΔfusH	2.57	kJ/mol	318.00	NIST
ΔfusH	8.22	kJ/mol	345.00	NIST
ΔfusH	9.75	kJ/mol	458.00	NIST
ΔfusH	9.75	kJ/mol	458.00	NIST
ΔsubH	[50.50; 59.00]	kJ/mol	[310.50; 394.00]
ΔsubH	59.00	kJ/mol	310.50	NIST
ΔsubH	58.90	kJ/mol	331.00	NIST
ΔsubH	50.50	kJ/mol	394.00	NIST
ΔvapH	[40.30; 53.70]	kJ/mol	[381.50; 486.50]
ΔvapH	53.70	kJ/mol	381.50	NIST
ΔvapH	51.20	kJ/mol	402.50	NIST
ΔvapH	49.00	kJ/mol	459.20	KDB
ΔvapH	40.30	kJ/mol	486.50	NIST
ΔfusS	[8.07; 23.83]	J/mol×K	[318.00; 458.00]
ΔfusS	8.07	J/mol×K	318.00	NIST
ΔfusS	23.83	J/mol×K	345.00	NIST
ΔfusS	21.29	J/mol×K	458.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.88; 180.06]	J/mol×K	[298.00; 1200.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.30409e+02
Coefficient B			1.19961e+02
Coefficient C			-1.00840e+02
Coefficient D			3.01427e+01
Coefficient E			-1.69806e+00
Reference			Chase, 1998
Temperature range, min.			298.00
Temperature range, max.			1200.00
Cp,gas	138.88	J/mol×K	298.00	Calculated Property
Cp,gas	153.38	J/mol×K	398.22	Calculated Property
Cp,gas	162.05	J/mol×K	498.44	Calculated Property
Cp,gas	167.81	J/mol×K	598.67	Calculated Property
Cp,gas	171.81	J/mol×K	698.89	Calculated Property
Cp,gas	174.60	J/mol×K	799.11	Calculated Property
Cp,gas	176.56	J/mol×K	899.33	Calculated Property
Cp,gas	177.97	J/mol×K	999.56	Calculated Property
Cp,gas	179.06	J/mol×K	1099.78	Calculated Property
Cp,gas	180.06	J/mol×K	1200.00	Calculated Property
Cp,gas	[180.01; 179.63]	J/mol×K	[1200.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.93018e+02
Coefficient B			-6.03270e+00
Coefficient C			1.00862e+00
Coefficient D			-6.11810e-02
Coefficient E			-1.02470e+01
Reference			Chase, 1998
Temperature range, min.			1200.00
Temperature range, max.			6000.00
Cp,gas	180.01	J/mol×K	1200.00	Calculated Property
Cp,gas	181.86	J/mol×K	1733.33	Calculated Property
Cp,gas	181.82	J/mol×K	2266.67	Calculated Property
Cp,gas	181.38	J/mol×K	2800.00	Calculated Property
Cp,gas	180.93	J/mol×K	3333.33	Calculated Property
Cp,gas	180.55	J/mol×K	3866.67	Calculated Property
Cp,gas	180.26	J/mol×K	4400.00	Calculated Property
Cp,gas	180.04	J/mol×K	4933.33	Calculated Property
Cp,gas	179.84	J/mol×K	5466.67	Calculated Property
Cp,gas	179.63	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004889; 0.0003587]	Pa×s	[458.23; 493.08]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.20050e+01
Coefficient B			2.00776e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			458.23
Temperature range, max.			493.08
η	0.0004889	Pa×s	458.23	Calculated Property
η	0.0004712	Pa×s	462.10	Calculated Property
η	0.0004545	Pa×s	465.97	Calculated Property
η	0.0004387	Pa×s	469.84	Calculated Property
η	0.0004236	Pa×s	473.72	Calculated Property
η	0.0004093	Pa×s	477.59	Calculated Property
η	0.0003957	Pa×s	481.46	Calculated Property
η	0.0003827	Pa×s	485.33	Calculated Property
η	0.0003704	Pa×s	489.21	Calculated Property
η	0.0003587	Pa×s	493.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[344.83; 487.92]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.30211e+01
Coefficient B			-2.79600e+03
Coefficient C			-1.25251e+02
Temperature range, min.			344.83
Temperature range, max.			487.92
Pvap	1.33	kPa	344.83	Calculated Property
Pvap	3.15	kPa	360.73	Calculated Property
Pvap	6.67	kPa	376.63	Calculated Property
Pvap	12.94	kPa	392.53	Calculated Property
Pvap	23.27	kPa	408.43	Calculated Property
Pvap	39.34	kPa	424.32	Calculated Property
Pvap	63.06	kPa	440.22	Calculated Property
Pvap	96.61	kPa	456.12	Calculated Property
Pvap	142.32	kPa	472.02	Calculated Property
Pvap	202.67	kPa	487.92	Calculated Property
Pvap	[0.14; 3043.14]	kPa	[306.15; 698.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.45610e+01
Coefficient B			-9.86248e+03
Coefficient C			-1.12902e+01
Coefficient D			3.12000e-06
Coefficient E			0.00000e+00
Temperature range, min.			306.15
Temperature range, max.			698.00
Pvap	0.14	kPa	306.15	Calculated Property
Pvap	1.84	kPa	349.69	Calculated Property
Pvap	12.31	kPa	393.23	Calculated Property
Pvap	51.31	kPa	436.77	Calculated Property
Pvap	153.92	kPa	480.31	Calculated Property
Pvap	364.97	kPa	523.84	Calculated Property
Pvap	728.77	kPa	567.38	Calculated Property
Pvap	1281.11	kPa	610.92	Calculated Property
Pvap	2046.94	kPa	654.46	Calculated Property
Pvap	3043.14	kPa	698.00	Calculated Property
Pvap	[0.14; 91.20]	kPa	[305.90; 458.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43019e+01
Coefficient B			-3.74618e+03
Coefficient C			-7.61020e+01
Reference			Stull, 1947
Temperature range, min.			305.90
Temperature range, max.			458.80
Pvap	0.14	kPa	305.90	Calculated Property
Pvap	0.42	kPa	322.89	Calculated Property
Pvap	1.10	kPa	339.88	Calculated Property
Pvap	2.61	kPa	356.87	Calculated Property
Pvap	5.59	kPa	373.86	Calculated Property
Pvap	11.02	kPa	390.84	Calculated Property
Pvap	20.27	kPa	407.83	Calculated Property
Pvap	35.14	kPa	424.82	Calculated Property
Pvap	57.87	kPa	441.81	Calculated Property
Pvap	91.20	kPa	458.80	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, hexachloro-.

Mixtures

• Ethane, hexachloro- + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Influence of Temperature and Surfactants on the Solubilization of Hexachlorobutadiene and Hexachloroethane
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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