CAS Number: 4537-15-9
SMILES : c1ccccc1C(CCCC)CCCCCC
CHEM   : Benzene, (1-butylheptyl)-
MOL FOR: C17 H28 
MOL WT : 232.41
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  7.38
    Log Kow (Exper. database match) =  7.59
       Exper. Ref:  SHERBLOM,PM ET AL. (1992)
    Log Kow (Exper. database match) =  7.45
       Exper. Ref:  SHERBLOM,PM ET AL. (1992)
    Log Kow (Exper. database match) =  7.45
       Exper. Ref:  SHERBLOM,PM ET AL. (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  302.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  30.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00155  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.206  (Modified Grain method)
    Subcooled liquid VP: 0.00173 mm Hg (25 deg C, Mod-Grain method)
                       : 0.23 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.01282
       log Kow used: 7.45 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0084916 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.01E-001  atm-m3/mole  (1.02E+004 Pa-m3/mole)
   Group Method:   1.94E-001  atm-m3/mole  (1.97E+004 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:  3.697E-002 atm-m3/mole  (3.746E+003 Pa-m3/mole)
      VP:   0.00155 mm Hg (source: MPBPVP)
      WS:   0.0128 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.45  (exp database)
  Log Kaw used:  0.616  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.834
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0365
   Biowin2 (Non-Linear Model)     :   0.9969
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2294  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9869  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4482
   Biowin6 (MITI Non-Linear Model):   0.5385
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0909
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5583
     BioHC Half-Life (days)     :  36.1621
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.231 Pa (0.00173 mm Hg)
  Log Koa (Koawin est  ): 6.834
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.3E-005 
       Octanol/air (Koa) model:  1.67E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00047 
       Mackay model           :  0.00104 
       Octanol/air (Koa) model:  0.000134 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.6715 E-12 cm3/molecule-sec
      Half-Life =     0.573 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.874 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000754 (Junge-Pankow, Mackay avg)
      0.000134 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9.302E+004  L/kg (MCI method)
      Log Koc:  4.969       (MCI method)
      Koc    :  2.92E+006  L/kg (Kow method)
      Log Koc:  6.465       (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 = 3.307 (BCF = 2028 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9247 days (HL = 8.408 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.677 (BCF = 475.4)
   Log BAF Arnot-Gobas method (upper trophic) = 4.359 (BAF = 2.287e+004)
       log Kow used: 7.45 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.194 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1.56  hours
    Half-Life from Model Lake :      144.9  hours   (6.035 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.65  percent
    Total biodegradation:        0.71  percent
    Total sludge adsorption:    89.41  percent
    Total to Air:                4.53  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.94            13.7         1000       
   Water     18.7            360          1000       
   Soil      59.1            720          1000       
   Sediment  20.2            3.24e+003    0          
     Persistence Time: 429 hr