ChemSpider 2D Image | heod | C12H8Cl6O

heod

  • Molecular FormulaC12H8Cl6O
  • Average mass380.909 Da
  • Monoisotopic mass377.870636 Da
  • ChemSpider ID2940

More details:

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

(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene
1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene
1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,exo-1,4:5,8-dimethanonaphthalene
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro, endo,exo-
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-
1,8,9,10,11,11-Hexachloro-4,5-exo-epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene
2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro- [ACD/Index Name]
200-484-5 [EINECS]
More...

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

Caswell No. 333 [DBID]
Caswell No. 423 [DBID]
compd 269 [DBID]
Compd 497 [DBID]
EN 57 [DBID]
ENT 16225 [DBID]
ENT 17251 [DBID]
HSDB 198 [DBID]
HSDB 322 [DBID]
Latka 269 [Czech] [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      Colorless to tan, crystalline solid with a mild, chemical odor. [insecticide] NIOSH IO1575000
      white or beige crystalline solid OU Chemical Safety Data (No longer updated) More details
      white or light brown powder or crystals OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable. Breakdown product of aldrin in the environment. Incompatiblewith acids, active metals and strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
      Stable. Incompatible with strong acids, strong oxidizers. Corrodes some metals. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      Ingestion of 1 mg kg-1 may cause harmful effects. Note low LD50s below. CNS, ORL-RAT LD50 3 mg kg-1, SKN-RAT LD50 12 mg kg-1, ORL-MKY LD50 3 mg kg-1, ORL-RBT LD50 7 mg kg-1, ORL-GPG LD50 16 mg kg -1 OU Chemical Safety Data (No longer updated) More details
      Organic Compound; Organochloride; Pesticide; Ether; Pollutant; Food Toxin; Metabolite; Synthetic Compound Toxin, Toxin-Target Database T3D0041
      ORL-RAT LD50 38 mg kg-1, SKN-RAT LD50 56 mg kg-1, SCU-RAT LD50 49 mg kg-1, IVN-RAT LD50 9 mg kg-1, ORL-MKY LD50 3 mg kg-1, ORL-BWD LD50 13 mg kg-1 OU Chemical Safety Data (No longer updated) More details

    • Safety:

      Safety glasses, gloves, good ventilation. OU Chemical Safety Data (No longer updated) More details
      Use and manufacture of this compound have been phased outin many countries. It accumulates in the environment and has beenfound in human milk. It should not be used unless no alternative isavailable, and then only after a full risk assessment has been prepared. OU Chemical Safety Data (No longer updated) More details

    • Symptoms:

      Epileptiform convulsions; stupor, headache, dizziness; abdominal discomfort, nausea, vomiting; insomnia; aggressiveness, confusion; drowsiness, lassitude (weakness, exhaustion); anorexia; in animals: liver damage NIOSH IO1575000

    • Target Organs:

      central nervous system, liver NIOSH IO1575000

    • Incompatibility:

      Strong oxidizers, strong acids, parathion [Note: May emit hydrogen chloride & phosgene when heated or burned.] NIOSH IO1575000

    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: Daily Provide: Eyewash, Quick drench NIOSH IO1575000

    • Exposure Limits:

      NIOSH REL : TWA 0.1 mg/m 3 [skin] OSHA PEL : TWA 0.1 mg/m 3 [skin] NIOSH IO1575000

    • Compound Source:

      synthetic Microsource [00330081]
  • Gas Chromatography

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 416.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 155.3±28.8 °C
Index of Refraction: 1.676
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3339.05
ACD/KOC (pH 5.5): 11582.54
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3339.05
ACD/KOC (pH 7.4): 11582.54
Polar Surface Area: 13 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 206.0±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) =  5.45
    Log Kow (Exper. database match) =  5.40
       Exper. Ref:  DeBruijn,J et al. (1989)
    Log Kow (Exper. database match) =  5.20
       Exper. Ref:  DeBruijn,J et al. (1989)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  340.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  135.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.74E-006  (Modified Grain method)
    MP  (exp database):  226-230 deg C
    BP  (exp database):  330 deg C
    VP  (exp database):  3.00E-06 mm Hg at 20 deg C
    Subcooled liquid VP: 0.000292 mm Hg (20 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1455
       log Kow used: 5.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.195 mg/L (25 deg C)
        Exper. Ref:  BIGGAR,JW & RIGGS,RI (1974)
     Water Sol (Exper. database match) =  0.25 mg/L (25 deg C)
        Exper. Ref:  BIGGAR,JW & RIGGS,RI (1974)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.022128 mg/L
    Wat Sol (Exper. database match) =  0.20
       Exper. Ref:  BIGGAR,JW & RIGGS,RI (1974)
    Wat Sol (Exper. database match) =  0.25
       Exper. Ref:  BIGGAR,JW & RIGGS,RI (1974)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.41E-007  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 1.00E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.438E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.20  (exp database)
  Log Kaw used:  -3.585  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.785
      Log Koa (experimental database):  8.130

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.0013
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.6733  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.2245  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1158
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3951
 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):  0.0389 Pa (0.000292 mm Hg)
  Log Koa (Exp database): 8.130
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.71E-005 
       Octanol/air (Koa) model:  3.31E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00278 
       Mackay model           :  0.00613 
       Octanol/air (Koa) model:  0.00264 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.0856 E-12 cm3/molecule-sec
      Half-Life =     1.061 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.726 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003579 E-17 cm3/molecule-sec
      Half-Life =   320.239 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.00445 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.06E+004
      Log Koc:  4.025 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Ka (acid-catalyzed) at 25 deg C :  1.713E-002  L/mol-sec
  Ka Half-Life at pH 7:      12.823  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.304 (BCF = 2014)
       log Kow used: 5.20 (expkow database)

 Volatilization from Water:
    Henry LC:  1E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      116.3  hours   (4.844 days)
    Half-Life from Model Lake :       1432  hours   (59.66 days)

 Removal In Wastewater Treatment:
    Total removal:              83.13  percent
    Total biodegradation:        0.71  percent
    Total sludge adsorption:    82.35  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.148           25.4         1000       
   Water     3.61            4.32e+003    1000       
   Soil      69.2            8.64e+003    1000       
   Sediment  27.1            3.89e+004    0          
     Persistence Time: 6.14e+003 hr

Click to predict properties on the Chemicalize site


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