CAS Number: 37050-05-8
SMILES : C(=C=CCC(C)C)CC
CHEM   : 3,4-OCTADIENE, 7-METHYL-
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) =  4.37
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  137.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -64.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.74  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.17E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.259
       log Kow used: 4.37 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  48.223 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.71E-001  atm-m3/mole  (4.77E+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:  2.717E-001 atm-m3/mole  (2.753E+004 Pa-m3/mole)
      VP:   8.74 mm Hg (source: MPBPVP)
      WS:   5.26 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.37  (KowWin est)
  Log Kaw used:  1.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.085
      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)    :   0.4043
   Biowin6 (MITI Non-Linear Model):   0.4536
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3365
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6096
     BioHC Half-Life (days)     :   4.0703
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.08E+003 Pa (8.08 mm Hg)
  Log Koa (Koawin est  ): 3.085
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.78E-009 
       Octanol/air (Koa) model:  2.99E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.01E-007 
       Mackay model           :  2.23E-007 
       Octanol/air (Koa) model:  2.39E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.9709 E-12 cm3/molecule-sec
      Half-Life =     0.173 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.071 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.633750 E-17 cm3/molecule-sec
      Half-Life =     1.808 Days (at 7E11 mol/cm3)
      Half-Life =     43.399 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.62E-007 (Junge-Pankow, Mackay avg)
      2.39E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  367.4  L/kg (MCI method)
      Log Koc:  2.565       (MCI method)
      Koc    :  6199  L/kg (Kow method)
      Log Koc:  3.792       (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 = 2.547 (BCF = 352.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2762 days (HL = 1.889 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.774 (BCF = 594.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.776 (BAF = 597.1)
       log Kow used: 4.37 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.471 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:              99.58  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:    29.10  percent
    Total to Air:               70.38  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.14            3.78         1000       
   Water     89.2            360          1000       
   Soil      3.25            720          1000       
   Sediment  1.36            3.24e+003    0          
     Persistence Time: 68.9 hr