ChemSpider 2D Image | Octachlorocamphene | C10H8Cl8

Octachlorocamphene

  • Molecular FormulaC10H8Cl8
  • Average mass411.794 Da
  • Monoisotopic mass407.813416 Da
  • ChemSpider ID66611

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2,2,3,3,4,7,7-Octachlor-5,5-dimethyl-6-methylenbicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
1,2,2,3,3,4,7,7-Octachloro-5,5-dimethyl-6-methylenebicyclo[2.2.1]heptane [ACD/IUPAC Name]
1,2,2,3,3,4,7,7-Octachloro-5,5-diméthyl-6-méthylènebicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane, 1,2,2,3,3,4,7,7-octachloro-5,5-dimethyl-6-methylene- [ACD/Index Name]
Octachlorocamphene
1,2,2,3,3,4,7,7-Octachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane
1319-80-8 [RN]
8001-35-2 [RN]
Chlorinated Camphene
Chlorocamphene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C15648 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      Amber, waxy solid with a mild, piney, chlorine- and camphor-like odor. [insecticide] NIOSH XW5250000

    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash promptly Breathing: Respiratory support Swallow: Medical attention immediately NIOSH XW5250000

    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH XW5250000

    • Symptoms:

      Nausea, confusion, agitation, tremor, convulsions, unconsciousness; dry, red skin; [potential occupational carcinogen] NIOSH XW5250000

    • Target Organs:

      central nervous system, skin Cancer Site [in animals: liver cancer] NIOSH XW5250000

    • Incompatibility:

      Strong oxidizers [Note: Slightly corrosive to metals under moist conditions.] NIOSH XW5250000

    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated/Daily Remove: When wet or contaminated Change: Daily Provide: Eyewash, Quick drench NIOSH XW5250000

    • Exposure Limits:

      NIOSH REL : Ca [skin] See Appendix A OSHA PEL ?: TWA 0.5 mg/m 3 [skin] NIOSH XW5250000

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 357.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 159.9±23.9 °C
Index of Refraction: 1.585
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22668.29
ACD/KOC (pH 5.5): 45624.12
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22668.29
ACD/KOC (pH 7.4): 45624.12
Polar Surface Area: 0 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 246.1±5.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  8.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  315.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  124.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.83E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000866 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0003224
       log Kow used: 8.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0015607 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.82E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.484E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.08  (KowWin est)
  Log Kaw used:  -2.806  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.886
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.4432
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):  -0.3690  (recalcitrant)
   Biowin4 (Primary Survey Model) :   1.5281  (recalcitrant)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0854
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5928
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.115 Pa (0.000866 mm Hg)
  Log Koa (Koawin est  ): 10.886
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.6E-005 
       Octanol/air (Koa) model:  0.0189 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000938 
       Mackay model           :  0.00207 
       Octanol/air (Koa) model:  0.602 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.3986 E-12 cm3/molecule-sec
      Half-Life =     0.271 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.258 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.00151 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.939E+004
      Log Koc:  4.694 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.324 (BCF = 2108)
       log Kow used: 8.08 (estimated)

 Volatilization from Water:
    Henry LC:  3.82E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      33.17  hours   (1.382 days)
    Half-Life from Model Lake :        532  hours   (22.17 days)

 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0259          6.26         1000       
   Water     0.76            4.32e+003    1000       
   Soil      39.2            8.64e+003    1000       
   Sediment  60.1            3.89e+004    0          
     Persistence Time: 1.06e+004 hr

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