ChemSpider 2D Image | 2-[(4-Chlorophenyl)(phenyl)methylene]-1,3-cyclopentanediyl | C18H15Cl

2-[(4-Chlorophenyl)(phenyl)methylene]-1,3-cyclopentanediyl

  • Molecular FormulaC18H15Cl
  • Average mass266.765 Da
  • Monoisotopic mass266.086243 Da
  • ChemSpider ID8977057

More details:






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

1,3-Cyclopentanediyl, 2-[(4-chlorophenyl)phenylmethylene]- [ACD/Index Name]
2-[(4-Chlorophenyl)(phenyl)methylene]-1,3-cyclopentanediyl [ACD/IUPAC Name]
2-[(4-Chlorophényl)(phényl)méthylène]-1,3-cyclopentanediyl [French] [ACD/IUPAC Name]
2-[(4-Chlorphenyl)(phenyl)methylen]-1,3-cyclopentandiyl [German] [ACD/IUPAC Name]

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

No predicted properties have been calculated for this compound.

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  364.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  112.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.99E-006  (Modified Grain method)
    Subcooled liquid VP: 5.86E-005 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):  0.07278
       log Kow used: 6.33 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.11775 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.75E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.883E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.33  (KowWin est)
  Log Kaw used:  -2.145  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.475
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5653
   Biowin2 (Non-Linear Model)     :   0.2642
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4206  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2995  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0715
   Biowin6 (MITI Non-Linear Model):   0.0315
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6869
 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):  0.00781 Pa (5.86E-005 mm Hg)
  Log Koa (Koawin est  ): 8.475
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000384 
       Octanol/air (Koa) model:  7.33E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0137 
       Mackay model           :  0.0298 
       Octanol/air (Koa) model:  0.00583 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 116.4019 E-12 cm3/molecule-sec
      Half-Life =     0.092 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.103 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  1064.699951 E-17 cm3/molecule-sec
      Half-Life =     0.001 Days (at 7E11 mol/cm3)
      Half-Life =      1.550 Min
   Fraction sorbed to airborne particulates (phi): 0.0217 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.903E+005
      Log Koc:  5.591 

 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 = 4.175 (BCF = 1.496e+004)
       log Kow used: 6.33 (estimated)

 Volatilization from Water:
    Henry LC:  0.000175 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.158  hours
    Half-Life from Model Lake :      215.6  hours   (8.982 days)

 Removal In Wastewater Treatment:
    Total removal:              93.16  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.31  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000528        0.0255       1000       
   Water     2.92            900          1000       
   Soil      34              1.8e+003     1000       
   Sediment  63.1            8.1e+003     0          
     Persistence Time: 2.55e+003 hr




                    

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