CAS Number: 74421-05-9
SMILES : CCC=C(C)C=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) =  4.44
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  144.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -74.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.69  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.16E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  138 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.507
       log Kow used: 4.44 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  115.59 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.24E-001  atm-m3/mole  (6.32E+004 Pa-m3/mole)
   Group Method:   1.47E-001  atm-m3/mole  (1.49E+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:  3.152E-001 atm-m3/mole  (3.193E+004 Pa-m3/mole)
      VP:   8.69 mm Hg (source: MPBPVP)
      WS:   4.51 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.44  (KowWin est)
  Log Kaw used:  1.407  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.033
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6884
   Biowin2 (Non-Linear Model)     :   0.7764
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9246  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6685  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4060
   Biowin6 (MITI Non-Linear Model):   0.3784
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3967
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.1554
     BioHC Half-Life (days)     :   1.4301
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.07E+003 Pa (8.03 mm Hg)
  Log Koa (Koawin est  ): 3.033
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.8E-009 
       Octanol/air (Koa) model:  2.65E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.01E-007 
       Mackay model           :  2.24E-007 
       Octanol/air (Koa) model:  2.12E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 261.5093 E-12 cm3/molecule-sec
      Half-Life =     0.041 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.449 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  1000.000000 E-17 cm3/molecule-sec
      Half-Life =     0.001 Days (at 7E11 mol/cm3)
      Half-Life =      1.650 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.63E-007 (Junge-Pankow, Mackay avg)
      2.12E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  589.4  L/kg (MCI method)
      Log Koc:  2.770       (MCI method)
      Koc    :  7130  L/kg (Kow method)
      Log Koc:  3.853       (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 = 2.599 (BCF = 397.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7124 days (HL = 5.157 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.083 (BCF = 1210)
   Log BAF Arnot-Gobas method (upper trophic) = 3.097 (BAF = 1251)
       log Kow used: 4.44 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.147 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.142  hours
    Half-Life from Model Lake :      105.9  hours   (4.413 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.70  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    31.91  percent
    Total to Air:               66.68  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0439          0.0268       1000       
   Water     86.1            360          1000       
   Soil      11.9            720          1000       
   Sediment  1.94            3.24e+003    0          
     Persistence Time: 71.4 hr