CAS Num: 030364-38-6
SMILES : c12C=CCC(C)(C)c1ccc(C)c2
CHEM   : 
MOL FOR: C13 H16 
MOL WT : 172.27
------------------------------ 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) =  5.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  245.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  41.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.024  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.19  (Modified Grain method)
    Subcooled liquid VP: 0.0339 mm Hg (25 deg C, Mod-Grain method)
                       : 4.52 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.348
       log Kow used: 5.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.8062 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.10E-003  atm-m3/mole  (4.15E+002 Pa-m3/mole)
   Group Method:   6.29E-004  atm-m3/mole  (6.37E+001 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:  2.317E-003 atm-m3/mole  (2.348E+002 Pa-m3/mole)
      VP:   0.024 mm Hg (source: MPBPVP)
      WS:   2.35 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.16  (KowWin est)
  Log Kaw used:  -0.776  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.936
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5363
   Biowin2 (Non-Linear Model)     :   0.3581
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5315  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3772  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3663
   Biowin6 (MITI Non-Linear Model):   0.2595
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5824
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.8791
     BioHC Half-Life (days)     :  75.6925

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.52 Pa (0.0339 mm Hg)
  Log Koa (Koawin est  ): 5.936
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.64E-007 
       Octanol/air (Koa) model:  2.12E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.4E-005 
       Mackay model           :  5.31E-005 
       Octanol/air (Koa) model:  1.69E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.7605 E-12 cm3/molecule-sec
      Half-Life =     0.168 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.013 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.85E-005 (Junge-Pankow, Mackay avg)
      1.69E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5980  L/kg (MCI method)
      Log Koc:  3.777       (MCI method)
      Koc    :  3.006E+004  L/kg (Kow method)
      Log Koc:  4.478       (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 = 3.072 (BCF = 1181 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0529 days (HL = 11.29 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.506 (BCF = 3209)
   Log BAF Arnot-Gobas method (upper trophic) = 3.730 (BAF = 5368)
       log Kow used: 5.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.000629 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.561  hours
    Half-Life from Model Lake :        138  hours   (5.75 days)

 Removal In Wastewater Treatment:
    Total removal:              83.31  percent
    Total biodegradation:        0.67  percent
    Total sludge adsorption:    79.45  percent
    Total to Air:                3.18  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.103           1.34         1000       
   Water     9.86            900          1000       
   Soil      86.7            1.8e+003     1000       
   Sediment  3.39            8.1e+003     0          
     Persistence Time: 950 hr