CAS Num: 000538-68-1
SMILES : c(cccc1)(c1)CCCCC
CHEM   : Benzene, pentyl-
MOL FOR: C11 H16 
MOL WT : 148.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.50
    Log Kow (Exper. database match) =  4.90
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  210.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -11.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.275  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  36.7  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -75 deg C
    BP  (exp database):  205.4 deg C
    VP  (exp database):  4.39E-01 mm Hg (5.85E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.048
       log Kow used: 4.90 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3.37 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.39 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.85E-002  atm-m3/mole  (1.87E+003 Pa-m3/mole)
   Group Method:   2.50E-002  atm-m3/mole  (2.54E+003 Pa-m3/mole)
   Exper Database: 2.54E-02  atm-m3/mole  (2.57E+003 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:  1.063E-002 atm-m3/mole  (1.077E+003 Pa-m3/mole)
      VP:   0.275 mm Hg (source: MPBPVP)
      WS:   5.05 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.90  (exp database)
  Log Kaw used:  0.016  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.884
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9682
   Biowin2 (Non-Linear Model)     :   0.9941
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1171  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8393  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4051
   Biowin6 (MITI Non-Linear Model):   0.5075
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1360
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8955
     BioHC Half-Life (days)     :   7.8607

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  58.5 Pa (0.439 mm Hg)
  Log Koa (Koawin est  ): 4.884
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.13E-008 
       Octanol/air (Koa) model:  1.88E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.85E-006 
       Mackay model           :  4.1E-006 
       Octanol/air (Koa) model:  1.5E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.1361 E-12 cm3/molecule-sec
      Half-Life =     1.055 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.663 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.98E-006 (Junge-Pankow, Mackay avg)
      1.5E-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    :  1.788E+004  L/kg (Kow method)
      Log Koc:  4.252       (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 v3.00):
   Log BCF from regression-based method = 2.900 (BCF = 794.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0831 days (HL = 1.211 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.675 (BCF = 473.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.678 (BAF = 476.4)
       log Kow used: 4.90 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0254 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.271  hours
    Half-Life from Model Lake :        116  hours   (4.831 days)

 Removal In Wastewater Treatment:
    Total removal:              94.48  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    51.50  percent
    Total to Air:               42.73  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.56            25.3         1000       
   Water     28.6            360          1000       
   Soil      60.4            720          1000       
   Sediment  2.45            3.24e+003    0          
     Persistence Time: 216 hr