CAS Number: 104-51-8
SMILES : c(cccc1)(c1)CCCC
CHEM   : Benzene, butyl-
MOL FOR: C10 H14 
MOL WT : 134.22
------------------------------ 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) =  4.01
    Log Kow (Exper. database match) =  4.38
       Exper. Ref:  DEBRUIJN,J ET AL. (1989)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  190.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -23.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.822  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  110  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -87.9 deg C
    BP  (exp database):  183.3 deg C
    VP  (exp database):  1.06E+00 mm Hg (1.41E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  16.08
       log Kow used: 4.38 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  11.8 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16.805 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.39E-002  atm-m3/mole  (1.41E+003 Pa-m3/mole)
   Group Method:   1.77E-002  atm-m3/mole  (1.80E+003 Pa-m3/mole)
   Exper Database: 1.59E-02  atm-m3/mole  (1.61E+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:  9.028E-003 atm-m3/mole  (9.148E+002 Pa-m3/mole)
      VP:   0.822 mm Hg (source: MPBPVP)
      WS:   16.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.38  (exp database)
  Log Kaw used:  -0.187  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.567
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9748
   Biowin2 (Non-Linear Model)     :   0.9951
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1481  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8595  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3975
   Biowin6 (MITI Non-Linear Model):   0.5013
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1100
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8291
     BioHC Half-Life (days)     :   6.7462
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  141 Pa (1.06 mm Hg)
  Log Koa (Koawin est  ): 4.567
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.12E-008 
       Octanol/air (Koa) model:  9.06E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.67E-007 
       Mackay model           :  1.7E-006 
       Octanol/air (Koa) model:  7.25E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.7230 E-12 cm3/molecule-sec
      Half-Life =     1.226 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.714 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.23E-006 (Junge-Pankow, Mackay avg)
      7.25E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1482  L/kg (MCI method)
      Log Koc:  3.171       (MCI method)
      Koc    :  6324  L/kg (Kow method)
      Log Koc:  3.801       (Kow method)
       Experimental Log Koc:  3.39  (database)
 
 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 = 2.557 (BCF = 360.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0650 days (HL = 0.861 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.501 (BCF = 317.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.502 (BAF = 317.5)
       log Kow used: 4.38 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.0159 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.225  hours
    Half-Life from Model Lake :      110.5  hours   (4.604 days)
 
 Removal In Wastewater Treatment:
    Total removal:              89.96  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    33.19  percent
    Total to Air:               56.60  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.1            29.4         1000       
   Water     30              360          1000       
   Soil      58.3            720          1000       
   Sediment  1.5             3.24e+003    0          
     Persistence Time: 206 hr