Chemical Properties of Lindane (CAS 55963-79-6)

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-GNIYUCBRSA-N

Formula

C6H6Cl6

SMILES

Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl

Molecular Weight¹

290.83

CAS

55963-79-6

Other Names

• (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-1,2,3,4,5,6-hexachlorocyclohexane
• (1R,2r,3S,4R,5r,6S)-1,2,3,4,5,6-hexachlorocyclohexane
• .gamma.-1,2,3,4,5,6-hexachlorocyclohexane
• .gamma.-hexachloran
• 1,2,3,4,5,6-Hexachlorocyclohexane
• 1,2,3,4,5,6-Hexachlorocyclohexane («gamma»)
• 1,2,3,4,5,6-«gamma»-Hexachlorocyclohexane
• 666
• Aalindan
• Aficide
• Agrocide
• Agrocide III
• Agrocide WP
• Ameisenmittel Merck
• Ameisentod
• Aparasin
• Aphtiria
• Aplidal
• Arbitex
• Atlas steward
• BBH
• BHC
• BHC(«gamma»)
• Ben-Hex
• Benhexol
• Bentox 10
• Benzene Hexachloride, «gamma»
• Benzene hexachloride
• Bexol
• Celanex
• Chloresene
• Codechine
• Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1«alpha»,2«alpha»,3«beta»,4«alpha»,5«alpha»,6«beta»)-
• Cyclohexane, 1,2,3,4,5,6-hexachloro-, «gamma»-
• Cyclohexane, 1,2,3,4,5,6-hexachloro-, «gamma»-isomer
• DBH
• Detmol Extrakt
• Devoran
• Dol Granule
• Drilltox-Spezial Aglukon
• ENT 7,796
• Entomoxan
• Esoderm
• Gamacid
• Gamene
• Gamma benzene hexachloride
• Gamma-Col
• Gamma-HCH
• Gammalin
• Gammalin 20
• Gammaterr
• Gammexane
• Gexane
• HCCH
• HCH
• HGI
• Heclotox
• Hexa
• Hexachlorane
• Hexachlorocyclohexane
• Hexachlorocyclohexane,«gamma»-isomer
• Hexatox
• Hexaverm
• Hexicide
• Hexyclan
• Hortex
• Isotox
• Jacutin
• Kanodane
• Kokotine
• Kwell
• Lasochron
• Lendine
• Lentox
• Lidenal
• Lindafor
• Lindan
• Lindatox
• Lindex
• Lindosep
• Lintox
• Linvur
• Lorexane
• Milbol 49
• Mszycol
• Murfume grain store smoke
• Neo-Scabicidol
• Nexen FB
• Nexit
• Nexit Stark
• Nexol E
• Nicochloran
• Omnitox
• Ovadziak
• Owadziak
• Pedraczak
• Pflanzol
• Quellada
• Sang-gamma
• Sang-«gamma»
• Scabecid
• Scabene
• Spritz-Rapidin
• Spruehpflanzol
• Streunex
• TAP 85
• Tri-6
• Viton
• g-1,2,3,4,5,6-Hexachlorocyclohexane
• hexachloran
• «gamma»-1,2,3,4,5,6-Hexachlorocyclohexane
• «gamma»-BHC
• «gamma»-Benzene hexachloride
• «gamma»-Benzohexachloride
• «gamma»-HCH
• «gamma»-HCH or «gamma»-BHC
• «gamma»-Hexachloran
• «gamma»-Hexachlorane
• «gamma»-Hexachlorobenzene
• «gamma»-Hexachlorocyclohexane
• «gamma»-Lindane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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 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_sub : Sublimation pressure (kPa).
• 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°liquid	-2741.00 ± 21.00	kJ/mol	NIST
ΔcH°solid	[-2973.70; -2756.30]	kJ/mol
ΔcH°solid	-2973.70 ± 2.80	kJ/mol	NIST
ΔcH°solid	-2756.30 ± 0.80	kJ/mol	NIST
ΔfH°gas	-295.80 ± 2.90	kJ/mol	NIST
ΔfH°solid	[-386.60; -158.70]	kJ/mol
ΔfH°solid	-386.60 ± 2.80	kJ/mol	NIST
ΔfH°solid	-158.70	kJ/mol	NIST
ΔfusH°	33.67	kJ/mol	Joback Calculated Property
ΔsubH°	[90.80; 92.40]	kJ/mol
ΔsubH°	92.40 ± 4.00	kJ/mol	NIST
ΔsubH°	90.80 ± 0.70	kJ/mol	NIST
log10WS	-4.64		Estimated Solubility
logPoct/wat	3.644		Crippen Calculated Property
McVol	157.980	ml/mol	McGowan Calculated Property
Inp	[298.00; 1788.00]
Inp	1703.00		NIST
Inp	1751.00		NIST
Inp	1756.00		NIST
Inp	1735.00		NIST
Inp	1728.00		NIST
Inp	1757.00		NIST
Inp	1709.00		NIST
Inp	1711.00		NIST
Inp	1711.00		NIST
Inp	1713.00		NIST
Inp	1709.00		NIST
Inp	1711.00		NIST
Inp	1711.00		NIST
Inp	1713.00		NIST
Inp	1724.20		NIST
Inp	1722.59		NIST
Inp	1728.47		NIST
Inp	1733.90		NIST
Inp	1735.15		NIST
Inp	1737.79		NIST
Inp	1735.83		NIST
Inp	1732.00		NIST
Inp	1744.00		NIST
Inp	1788.00		NIST
Inp	1775.00		NIST
Inp	1720.00		NIST
Inp	1779.00		NIST
Inp	1775.00		NIST
Inp	1779.00		NIST
Inp	1704.00		NIST
Inp	1745.00		NIST
Inp	1757.00		NIST
Inp	1704.00		NIST
Inp	1745.00		NIST
Inp	1715.00		NIST
Inp	Outlier 298.00		NIST
Inp	1732.00		NIST
Inp	1709.00		NIST
Inp	1711.00		NIST
Inp	1728.47		NIST
Inp	1703.00		NIST
Inp	1779.00		NIST
Inp	1757.00		NIST
Inp	1728.00		NIST
Tfus	[386.38; 430.00]	K
Tfus	387.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	386.38 ± 0.05	K	NIST
Tfus	387.17 ± 0.20	K	NIST
Tfus	388.90 ± 0.20	K	NIST
Tfus	430.00 ± 2.00	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 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
ΔfusH	25.93	kJ/mol	386.38	NIST
ΔsubH	[88.90; 115.50]	kJ/mol	[273.00; 349.00]
ΔsubH	106.60 ± 0.90	kJ/mol	273.00	NIST
ΔsubH	88.90	kJ/mol	303.00	NIST
ΔsubH	101.20	kJ/mol	303.00	NIST
ΔsubH	97.70 ± 0.60	kJ/mol	309.00	NIST
ΔsubH	89.70	kJ/mol	328.00	NIST
ΔsubH	90.10 ± 0.70	kJ/mol	338.00	NIST
ΔsubH	99.20	kJ/mol	338.00	NIST
ΔsubH	115.50	kJ/mol	349.00	NIST
ΔvapH	70.50	kJ/mol	398.00	NIST
Psub	[0.02; 0.04]	kPa	[377.50; 384.80]
Psub	0.02	kPa	377.50	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.03	kPa	378.30	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.03	kPa	379.10	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.03	kPa	379.90	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.03	kPa	380.70	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.03	kPa	381.50	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.03	kPa	382.40	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.04	kPa	383.20	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.04	kPa	384.00	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub	0.04	kPa	384.80	Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit

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	[0.0009937; 0.0005539]	Pa×s	[395.92; 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.			395.92
Temperature range, max.			560.15
η	0.0009937	Pa×s	395.92	Calculated Property
η	0.0009102	Pa×s	414.17	Calculated Property
η	0.0008398	Pa×s	432.42	Calculated Property
η	0.0007800	Pa×s	450.66	Calculated Property
η	0.0007286	Pa×s	468.91	Calculated Property
η	0.0006841	Pa×s	487.16	Calculated Property
η	0.0006453	Pa×s	505.41	Calculated Property
η	0.0006111	Pa×s	523.66	Calculated Property
η	0.0005808	Pa×s	541.91	Calculated Property
η	0.0005539	Pa×s	560.15	Calculated Property

Similar Compounds

Find more compounds similar to Lindane.

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
• Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
• Joback Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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