CAS Number: 826-18-6
SMILES : c(ccc1C=CCCC)cc1
CHEM   : BENZENE, 1-PENTENYL-
MOL FOR: C11 H14 
MOL WT : 146.23
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.29
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  216.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.153  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  20.4  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  217 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  17.1
       log Kow used: 4.29 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.762 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.63E-003  atm-m3/mole  (7.73E+002 Pa-m3/mole)
   Group Method:   6.58E-003  atm-m3/mole  (6.67E+002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.722E-003 atm-m3/mole  (1.744E+002 Pa-m3/mole)
      VP:   0.153 mm Hg (source: MPBPVP)
      WS:   17.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.29  (KowWin est)
  Log Kaw used:  -0.506  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.796
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9144
   Biowin2 (Non-Linear Model)     :   0.9898
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1964  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9107  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4298
   Biowin6 (MITI Non-Linear Model):   0.4601
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0847
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6384
     BioHC Half-Life (days)     :   4.3488
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  18.9 Pa (0.142 mm Hg)
  Log Koa (Koawin est  ): 4.796
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.58E-007 
       Octanol/air (Koa) model:  1.53E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.72E-006 
       Mackay model           :  1.27E-005 
       Octanol/air (Koa) model:  1.23E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.6981 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  68.2981 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.115 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.879 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      9.2E-006 (Junge-Pankow, Mackay avg)
      1.23E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2700  L/kg (MCI method)
      Log Koc:  3.431       (MCI method)
      Koc    :  5283  L/kg (Kow method)
      Log Koc:  3.723       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.497 (BCF = 314.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2326 days (HL = 1.708 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.724 (BCF = 529.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.725 (BAF = 530.7)
       log Kow used: 4.29 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00658 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.342  hours
    Half-Life from Model Lake :        116  hours   (4.835 days)
 
 Removal In Wastewater Treatment:
    Total removal:              80.20  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    32.62  percent
    Total to Air:               47.37  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.541           2.06         1000       
   Water     20.1            360          1000       
   Soil      77.6            720          1000       
   Sediment  1.73            3.24e+003    0          
     Persistence Time: 311 hr