CAS Number: 57378-84-4
SMILES : O=C(OCC)C=C(C=CCC(C)CCCC(C)C)C
CHEM   : 
MOL FOR: C17 H30 O2 
MOL WT : 266.43
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  6.73
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  312.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  8.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000983  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.131  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  174 @ 19 mm Hg deg C
    VP  (exp database):  2.44E-04 mm Hg (3.25E-002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0344
       log Kow used: 6.73 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1994); pH 7
     Water Sol (Exper. database match) =  2 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1997); pH 7
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.27774 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.67E-003  atm-m3/mole  (3.72E+002 Pa-m3/mole)
   Group Method:   6.43E-004  atm-m3/mole  (6.52E+001 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:  1.002E-002 atm-m3/mole  (1.015E+003 Pa-m3/mole)
      VP:   0.000983 mm Hg (source: MPBPVP)
      WS:   0.0344 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.73  (KowWin est)
  Log Kaw used:  -0.824  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.554
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7949
   Biowin2 (Non-Linear Model)     :   0.9646
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7506  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6923  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4296
   Biowin6 (MITI Non-Linear Model):   0.3569
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1878
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0325 Pa (0.000244 mm Hg)
  Log Koa (Koawin est  ): 7.554
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.22E-005 
       Octanol/air (Koa) model:  8.79E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00332 
       Mackay model           :  0.00732 
       Octanol/air (Koa) model:  0.000703 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  79.5087 E-12 cm3/molecule-sec
      Half-Life =     0.135 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.614 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    34.222500 E-17 cm3/molecule-sec
      Half-Life =     0.033 Days (at 7E11 mol/cm3)
      Half-Life =     48.221 Min
   Fraction sorbed to airborne particulates (phi):
      0.00532 (Junge-Pankow, Mackay avg)
      0.000703 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9318  L/kg (MCI method)
      Log Koc:  3.969       (MCI method)
      Koc    :  3.82E+004  L/kg (Kow method)
      Log Koc:  4.582       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.237E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.521  years  
  Kb Half-Life at pH 7:      35.212  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 4.106 (BCF = 1.276e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3474 days (HL = 2.226 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.636 (BCF = 432.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.976 (BAF = 945.4)
       log Kow used: 6.73 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000643 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.152  hours
    Half-Life from Model Lake :      171.3  hours   (7.135 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.70  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.82  percent
    Total to Air:                0.10  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0941          0.644        1000       
   Water     17.5            360          1000       
   Soil      78.6            720          1000       
   Sediment  3.85            3.24e+003    0          
     Persistence Time: 435 hr