CAS Number: 1115-08-8
SMILES : C(=C)C(C=C)C
CHEM   : 1,4-Pentadiene, 3-methyl-
MOL FOR: C6 H10 
MOL WT : 82.15
------------------------------ 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) =  2.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  52.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -108.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  280  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.73E+004  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  115.7
       log Kow used: 2.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  423.69 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.69E-001  atm-m3/mole  (1.71E+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:  2.616E-001 atm-m3/mole  (2.651E+004 Pa-m3/mole)
      VP:   280 mm Hg (source: MPBPVP)
      WS:   116 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.94  (KowWin est)
  Log Kaw used:  0.839  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.101
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7084
   Biowin2 (Non-Linear Model)     :   0.8632
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0176  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7292  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4546
   Biowin6 (MITI Non-Linear Model):   0.5609
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1495
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6440
     BioHC Half-Life (days)     :   4.4059
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.69E+004 Pa (277 mm Hg)
  Log Koa (Koawin est  ): 2.101
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.12E-011 
       Octanol/air (Koa) model:  3.1E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.93E-009 
       Mackay model           :  6.5E-009 
       Octanol/air (Koa) model:  2.48E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  54.7073 E-12 cm3/molecule-sec
      Half-Life =     0.196 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.346 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.400000 E-17 cm3/molecule-sec
      Half-Life =     0.477 Days (at 7E11 mol/cm3)
      Half-Life =     11.460 Hrs
   Fraction sorbed to airborne particulates (phi):
      4.72E-009 (Junge-Pankow, Mackay avg)
      2.48E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  115.8  L/kg (MCI method)
      Log Koc:  2.064       (MCI method)
      Koc    :  355.8  L/kg (Kow method)
      Log Koc:  2.551       (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 = 1.608 (BCF = 40.54 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1967 days (HL = 0.6358 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.835 (BCF = 68.37)
   Log BAF Arnot-Gobas method (upper trophic) = 1.835 (BAF = 68.37)
       log Kow used: 2.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.169 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      0.928  hours   (55.68 min)
    Half-Life from Model Lake :      86.12  hours   (3.588 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.51  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     2.28  percent
    Total to Air:               96.21  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.53            3.33         1000       
   Water     90.7            360          1000       
   Soil      3.16            720          1000       
   Sediment  0.585           3.24e+003    0          
     Persistence Time: 67.8 hr