- 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+/m1/s1
- InChI Key
- JLYXXMFPNIAWKQ-SHFUYGGZSA-N
- Formula
- C6H6Cl6
- SMILES
- ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
- Molecular Weight1
- 290.83
- CAS
- 319-84-6
- Other Names
-
- Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1«alpha»,2«alpha»,3«beta»,4«alpha»,5«beta»,6«beta»)-
- Cyclohexane, 1,2,3,4,5,6-hexachloro-, «alpha»-
- «alpha»-Benzene hexachloride
- «alpha»-Hexachloran
- «alpha»-Hexachlorane
- «alpha»-Hexachlorcyclohexane
- «alpha»-Hexachlorocyclohexane
- «alpha»-HCH
- «alpha»-1,2,3,4,5,6-Hexachlorcyclohexane
- «alpha»-1,2,3,4,5,6-Hexachlorocyclohexane
- Cyclohexane, 1,2,3,4,5,6-hexachloro-, «alpha»-isomer
- Benzene hexachloride-«alpha»-isomer
- Cyclohexane, «alpha»-1,2,3,4,5,6-hexachloro-
- ENT 9,232
- Hexachlorcyclohexan
- 1-«alpha»,2-«alpha»,3-«beta»,4-«alpha»,5-«beta»,6-«beta»-Hexachlorocyclohexane
- BHC-«alpha» isomer
- BHC «alpha»
- «alpha»-BHC
- HCH-«alpha»
- (.+/-.)-«alpha»-Hexachlorocyclohexane
- 1a,2a,3b,4a,5b,6b-Hexachlorocyclohexane
- Benzene hexachloride-alpha-isomer
- 1,2,3,4,5,6-Hexachlorocyclohexane, (1«alpha»,2«alpha»,3«beta»,4«alpha»,5«beta»,6«beta»)-
- (1«alpha»,2«alpha»,3«beta»,4«alpha»,5«beta»,6«beta»)-1,2,3,4,5,6-hexachlorocyclohexane
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-2959.60; -2742.40] | kJ/mol |
|
| ΔcH°solid | -2959.60 ± 2.20 | kJ/mol | NIST |
| ΔcH°solid | -2742.40 ± 0.80 | kJ/mol | NIST |
| ΔfH°gas | -342.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-400.80; -172.50] | kJ/mol |
|
| ΔfH°solid | -400.80 ± 2.50 | kJ/mol | NIST |
| ΔfH°solid | -172.50 | 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 | [289.00; 1724.00] |
|
|
| Inp | 1681.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | Outlier 289.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Ip | [2452.00; 2452.00] |
|
|
| Ip | 2452.00 | NIST | |
| Ip | 2452.00 | NIST | |
| Tfus | [429.00; 431.20] | K |
|
| Tfus | 430.50 ± 0.20 | K | NIST |
| Tfus | 429.00 ± 4.00 | K | NIST |
| Tfus | 431.20 ± 0.70 | 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 | [92.90; 95.70] | kJ/mol | [334.00; 338.00] |
|
| ΔsubH | 92.90 | kJ/mol | 334.00 | NIST |
| ΔsubH | 95.70 | kJ/mol | 338.00 | NIST |
| ΔvapH | 68.50 | kJ/mol | 398.00 | 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 | [0.0008477; 0.0005539] | Pa×s | [430.23; 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. | 430.23 | |||
| Temperature range, max. | 560.15 | |||
| η | 0.0008477 | Pa×s | 430.23 | Calculated Property |
| η | 0.0007987 | Pa×s | 444.67 | Calculated Property |
| η | 0.0007553 | Pa×s | 459.10 | Calculated Property |
| η | 0.0007167 | Pa×s | 473.54 | Calculated Property |
| η | 0.0006823 | Pa×s | 487.98 | Calculated Property |
| η | 0.0006513 | Pa×s | 502.41 | Calculated Property |
| η | 0.0006233 | Pa×s | 516.85 | Calculated Property |
| η | 0.0005980 | Pa×s | 531.28 | Calculated Property |
| η | 0.0005750 | Pa×s | 545.72 | Calculated Property |
| η | 0.0005539 | Pa×s | 560.15 | Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-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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