ChemSpider 2D Image | 243Z2SVZ40 | C10Cl10

243Z2SVZ40

  • Molecular FormulaC10Cl10
  • Average mass474.637 Da
  • Monoisotopic mass469.688538 Da
  • ChemSpider ID15823

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

1,1',2,2',3,3',4,4',5,5'-Decachlor-1,1'-bi(2,4-cyclopentadien-1-yl) [German] [ACD/IUPAC Name]
1,1',2,2',3,3',4,4',5,5'-Decachlor-1,1'-bi(cyclopenta-2,4-dien-1-yl)
1,1',2,2',3,3',4,4',5,5'-Decachloro-1,1'-bi(2,4-cyclopentadien-1-yl) [ACD/IUPAC Name]
1,1',2,2',3,3',4,4',5,5'-Décachloro-1,1'-bi(2,4-cyclopentadién-1-yl) [French] [ACD/IUPAC Name]
1,1',2,2',3,3',4,4',5,5'-Decachloro-1,1'-bi(cyclopenta-2,4-dien-1-yl)
218-763-5 [EINECS]
2227-17-0 [RN]
243Z2SVZ40
Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decachloro- [ACD/Index Name]
Bis(pentachloro-2,4-cylopentadien-1-yl)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

HRS 16 [DBID]
45443_RIEDEL [DBID]
AI3-25718 [DBID]
BRN 2064747 [DBID]
Caswell No. 274 [DBID]
ENT 25,718 [DBID]
EPA Pesticide Chemical Code 027501 [DBID]
HRS 1654 [DBID]
HRS-16 [DBID]
HSDB 1557 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 455.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 229.7±24.7 °C
Index of Refraction: 1.662
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 13.48
ACD/LogD (pH 5.5): 10.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8607781.00
ACD/LogD (pH 7.4): 10.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8607781.00
Polar Surface Area: 0 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 244.3±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) =  8.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  388.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  160.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.71E-006  (Modified Grain method)
    MP  (exp database):  122 deg C
    BP  (exp database):  250 dec deg C
    VP  (exp database):  2.18E-06 mm Hg at 25 deg C
    Subcooled liquid VP: 1.99E-005 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.086e-005
       log Kow used: 8.39 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.025 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1994)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00038557 mg/L
    Wat Sol (Exper. database match) =  0.03
       Exper. Ref:  TOMLIN,C (1994)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.48E-004  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 5.46E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.507E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.39  (KowWin est)
  Log Kaw used:  -2.651  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  11.041
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.9602
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):  -0.0058  (recalcitrant)
   Biowin4 (Primary Survey Model) :   1.8500  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.5538
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0210
 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):  0.00265 Pa (1.99E-005 mm Hg)
  Log Koa (Koawin est  ): 11.041
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00113 
       Octanol/air (Koa) model:  0.027 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0392 
       Mackay model           :  0.0829 
       Octanol/air (Koa) model:  0.683 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.0738 E-12 cm3/molecule-sec
      Half-Life =     9.960 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   119.525 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.000677 E-17 cm3/molecule-sec
      Half-Life =  1691.706 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.0611 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.639E+005
      Log Koc:  5.421 

 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 = 2.903 (BCF = 800.3)
       log Kow used: 8.39 (estimated)

 Volatilization from Water:
    Henry LC:  5.46E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      25.58  hours   (1.066 days)
    Half-Life from Model Lake :      461.8  hours   (19.24 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.215           238          1000       
   Water     0.75            4.32e+003    1000       
   Soil      39.5            8.64e+003    1000       
   Sediment  59.6            3.89e+004    0          
     Persistence Time: 1.1e+004 hr




                    

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