CAS Number: 13857-55-1
SMILES : CCC=C(C)CC=C
CHEM   : 
MOL FOR: C8 H14 
MOL WT : 110.20
------------------------------ 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) =  3.97
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  118.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -79.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  19.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.62E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  12.71
       log Kow used: 3.97 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  100.49 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.14E-001  atm-m3/mole  (4.20E+004 Pa-m3/mole)
   Group Method:   2.94E-001  atm-m3/mole  (2.98E+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:  2.236E-001 atm-m3/mole  (2.266E+004 Pa-m3/mole)
      VP:   19.6 mm Hg (source: MPBPVP)
      WS:   12.7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.97  (KowWin est)
  Log Kaw used:  1.229  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.741
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6951
   Biowin2 (Non-Linear Model)     :   0.8090
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9556  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6887  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5087
   Biowin6 (MITI Non-Linear Model):   0.5881
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4348
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4023
     BioHC Half-Life (days)     :   2.5249
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.45E+003 Pa (18.4 mm Hg)
  Log Koa (Koawin est  ): 2.741
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.22E-009 
       Octanol/air (Koa) model:  1.35E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.42E-008 
       Mackay model           :  9.78E-008 
       Octanol/air (Koa) model:  1.08E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 115.3713 E-12 cm3/molecule-sec
      Half-Life =     0.093 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.113 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.200001 E-17 cm3/molecule-sec
      Half-Life =     0.026 Days (at 7E11 mol/cm3)
      Half-Life =     37.336 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      7.1E-008 (Junge-Pankow, Mackay avg)
      1.08E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  384.5  L/kg (MCI method)
      Log Koc:  2.585       (MCI method)
      Koc    :  2787  L/kg (Kow method)
      Log Koc:  3.445       (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 = 2.290 (BCF = 194.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3360 days (HL = 2.168 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.676 (BCF = 473.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.677 (BAF = 474.9)
       log Kow used: 3.97 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.294 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.073  hours
    Half-Life from Model Lake :      99.73  hours   (4.155 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.24  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    16.45  percent
    Total to Air:               82.72  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.859           0.486        1000       
   Water     92.7            360          1000       
   Soil      4.96            720          1000       
   Sediment  1.47            3.24e+003    0          
     Persistence Time: 66.3 hr