CAS Number: 33746-70-2
SMILES : C=C(CC=CC)C(C)C
CHEM   : 
MOL FOR: C9 H16 
MOL WT : 124.23
------------------------------ 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) =  4.39
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  128.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -78.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  13.3  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.77E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.984
       log Kow used: 4.39 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  55.131 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.50E-001  atm-m3/mole  (5.57E+004 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.362E-001 atm-m3/mole  (4.420E+004 Pa-m3/mole)
      VP:   13.3 mm Hg (source: MPBPVP)
      WS:   4.98 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.39  (KowWin est)
  Log Kaw used:  1.352  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.038
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7968
   Biowin2 (Non-Linear Model)     :   0.9564
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2230  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9376  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3673
   Biowin6 (MITI Non-Linear Model):   0.3639
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1543
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5300
     BioHC Half-Life (days)     :   3.3881
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.65E+003 Pa (12.4 mm Hg)
  Log Koa (Koawin est  ): 3.038
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.81E-009 
       Octanol/air (Koa) model:  2.68E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.55E-008 
       Mackay model           :  1.45E-007 
       Octanol/air (Koa) model:  2.14E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 111.1446 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 118.7446 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.155 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.081 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    14.200000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    21.200001 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.937 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.297 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.05E-007 (Junge-Pankow, Mackay avg)
      2.14E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  601.5  L/kg (MCI method)
      Log Koc:  2.779       (MCI method)
      Koc    :  6452  L/kg (Kow method)
      Log Koc:  3.810       (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 = 2.565 (BCF = 367.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4922 days (HL = 3.106 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.932 (BCF = 855)
   Log BAF Arnot-Gobas method (upper trophic) = 2.937 (BAF = 865.1)
       log Kow used: 4.39 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.55 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.139  hours
    Half-Life from Model Lake :      105.9  hours   (4.412 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.64  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:    29.77  percent
    Total to Air:               69.78  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.83            1.05         1000       
   Water     91.8            360          1000       
   Soil      4.24            720          1000       
   Sediment  2.1             3.24e+003    0          
     Persistence Time: 66.9 hr