Chemical Properties of «delta»-Lindane (CAS 319-86-8)

InChI

InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5-,6-

InChI Key

JLYXXMFPNIAWKQ-GPIVLXJGSA-N

Formula

C6H6Cl6

SMILES

ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

Molecular Weight¹

290.83

CAS

319-86-8

Other Names

• Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1«alpha»,2«alpha»,3«alpha»,4«beta»,5«alpha»,6«beta»)-
• Cyclohexane, 1,2,3,4,5,6-hexachloro-, «delta»-
• «delta»-(Aeeee)-1,2,3,4,5,6-Hexachlorocyclohexane
• «delta»-Benzene hexachloride
• «delta»-BHC
• «delta»-Hexachlorocyclohexane
• «delta»-HCH
• «delta»,1,2,3,4,5,6-Hexachlorocyclohexane
• Cyclohexane, «delta»,1,2,3,4,5,6-hexachloro-
• Cyclohexane, 1,2,3,4,5,6-hexachloro-, «delta»-isomer
• ENT 9,234
• 1«alpha»,2«alpha»,3«alpha»,4«beta»,5«alpha»,6«beta»-Hexachlorocyclohexane
• BHC-«delta» isomer
• BHC, «delta»
• HCH-«delta»
• 1,2,3,4,5,6-Hexachlorocyclohexane, (1«alpha»,2«alpha»,3«alpha»,4«beta»,5«alpha»,6«beta»)-
• delta-BHC
• HCH-d
• (1«alpha»,2«alpha»,3«alpha»,4«beta»,5«alpha»,6«beta»)-1,2,3,4,5,6-hexachlorocyclohexane

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

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-2961.80; -2745.00]	kJ/mol
ΔcH°solid	-2961.80 ± 2.80	kJ/mol	NIST
ΔcH°solid	-2745.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	-342.46	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-398.60; -171.50]	kJ/mol
ΔfH°solid	-398.60 ± 2.90	kJ/mol	NIST
ΔfH°solid	-171.50	kJ/mol	NIST
ΔfusH°	33.67	kJ/mol	Joback Calculated Property
logPoct/wat	3.644		Crippen Calculated Property
McVol	157.980	ml/mol	McGowan Calculated Property
Inp	[1755.00; 1833.00]
Inp	1755.00		NIST
Inp	1833.00		NIST
Inp	1755.00		NIST
Inp	1817.00		NIST
Inp	1755.00		NIST
Inp	1833.00		NIST
Tfus	[410.20; 410.20]	K
Tfus	410.20 ± 0.20	K	NIST
Tfus	410.20 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	[97.30; 97.50]	kJ/mol	[338.00; 343.00]
ΔsubH	97.30	kJ/mol	338.00	NIST
ΔsubH	97.50	kJ/mol	343.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.40; 396.87]	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			3.88700e+01
Coefficient B			6.04200e-01
Coefficient C			-2.29000e-04
Coefficient D			-1.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.40	J/mol×K	273.00	Calculated Property
Cp,gas	223.20	J/mol×K	353.78	Calculated Property
Cp,gas	256.77	J/mol×K	434.56	Calculated Property
Cp,gas	287.07	J/mol×K	515.33	Calculated Property
Cp,gas	314.02	J/mol×K	596.11	Calculated Property
Cp,gas	337.59	J/mol×K	676.89	Calculated Property
Cp,gas	357.71	J/mol×K	757.67	Calculated Property
Cp,gas	374.34	J/mol×K	838.44	Calculated Property
Cp,gas	387.41	J/mol×K	919.22	Calculated Property
Cp,gas	396.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009271; 0.0005539]	Pa×s	[410.20; 560.15]	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			-8.90725e+00
Coefficient B			7.89140e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			410.20
Temperature range, max.			560.15
η	0.0009271	Pa×s	410.20	Calculated Property
η	0.0008600	Pa×s	426.86	Calculated Property
η	0.0008023	Pa×s	443.52	Calculated Property
η	0.0007523	Pa×s	460.18	Calculated Property
η	0.0007085	Pa×s	476.85	Calculated Property
η	0.0006700	Pa×s	493.51	Calculated Property
η	0.0006359	Pa×s	510.17	Calculated Property
η	0.0006056	Pa×s	526.83	Calculated Property
η	0.0005784	Pa×s	543.49	Calculated Property
η	0.0005539	Pa×s	560.15	Calculated Property

Similar Compounds

Find more compounds similar to «delta»-Lindane.

Sources

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

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