CAS Number: 538-93-2
SMILES : c(cccc1)(c1)CC(C)C
CHEM   : Benzene, (2-methylpropyl)-
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) =  3.94
    Log Kow (Exper. database match) =  4.68
       Exper. Ref:  SHERBLOM,PM & EGANHOUSE,RP (1988)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  178.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -34.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.37  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  183  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -51.4 deg C
    BP  (exp database):  172.7 deg C
    VP  (exp database):  1.93E+00 mm Hg (2.57E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  8.912
       log Kow used: 4.68 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  10.1 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  28.164 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:   2.13E-002  atm-m3/mole  (2.16E+003 Pa-m3/mole)
   Exper Database: 3.38E-02  atm-m3/mole  (3.42E+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:  2.715E-002 atm-m3/mole  (2.751E+003 Pa-m3/mole)
      VP:   1.37 mm Hg (source: MPBPVP)
      WS:   8.91 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.68  (exp database)
  Log Kaw used:  0.140  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.540
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8664
   Biowin2 (Non-Linear Model)     :   0.9701
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8497  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5904  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2484
   Biowin6 (MITI Non-Linear Model):   0.2821
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1303
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8904
     BioHC Half-Life (days)     :   7.7689
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  257 Pa (1.93 mm Hg)
  Log Koa (Koawin est  ): 4.540
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-008 
       Octanol/air (Koa) model:  8.51E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.21E-007 
       Mackay model           :  9.33E-007 
       Octanol/air (Koa) model:  6.81E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.7146 E-12 cm3/molecule-sec
      Half-Life =     1.227 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.728 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.77E-007 (Junge-Pankow, Mackay avg)
      6.81E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1246  L/kg (MCI method)
      Log Koc:  3.096       (MCI method)
      Koc    :  1.152E+004  L/kg (Kow method)
      Log Koc:  4.061       (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 = 2.755 (BCF = 568.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0014 days (HL = 0.9968 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.586 (BCF = 385.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.587 (BAF = 386.3)
       log Kow used: 4.68 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.0338 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.202  hours
    Half-Life from Model Lake :      110.3  hours   (4.594 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.30  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    42.64  percent
    Total to Air:               52.48  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       15.3            29.4         1000       
   Water     41.8            360          1000       
   Soil      41.1            720          1000       
   Sediment  1.79            3.24e+003    0          
     Persistence Time: 148 hr