CAS Num: 068916-45-0
SMILES : c1(O)c(OC)ccc(CCC(=O)CC(O)CCCCC)c1
CHEM   : Oils, ginger, terpene-free
MOL FOR: C17 H26 O4 
MOL WT : 294.39
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  416.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  158.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.38E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.18E-006  (Modified Grain method)
    MP  (exp database):  31 deg C
    Subcooled liquid VP: 6.09E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 8.12E-006 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  204.9
       log Kow used: 2.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1136.4 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
       a-,b-Ketone alcohol

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.54E-015  atm-m3/mole  (6.63E-010 Pa-m3/mole)
   Group Method:   1.77E-014  atm-m3/mole  (1.80E-009 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:  1.017E-010 atm-m3/mole  (1.031E-005 Pa-m3/mole)
      VP:   5.38E-008 mm Hg (source: MPBPVP)
      WS:   205 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.72  (KowWin est)
  Log Kaw used:  -12.573  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.293
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1838
   Biowin2 (Non-Linear Model)     :   0.9938
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9078  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8476  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5903
   Biowin6 (MITI Non-Linear Model):   0.6053
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0592
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  8.12E-006 Pa (6.09E-008 mm Hg)
  Log Koa (Koawin est  ): 15.293
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.369 
       Octanol/air (Koa) model:  482 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.93 
       Mackay model           :  0.967 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 116.2364 E-12 cm3/molecule-sec
      Half-Life =     0.092 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.104 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.949 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  419.3  L/kg (MCI method)
      Log Koc:  2.623       (MCI method)
      Koc    :  273.2  L/kg (Kow method)
      Log Koc:  2.437       (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 v3.00):
   Log BCF from regression-based method = 1.204 (BCF = 16 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5495 days (HL = 0.02821 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.976 (BCF = 9.463)
   Log BAF Arnot-Gobas method (upper trophic) = 0.976 (BAF = 9.463)
       log Kow used: 2.72 (estimated)

 Volatilization from Water:
    Henry LC:  1.77E-014 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.675E+010  hours   (2.365E+009 days)
    Half-Life from Model Lake : 6.191E+011  hours   (2.58E+010 days)

 Removal In Wastewater Treatment:
    Total removal:               3.90  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.79  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.59e-007       2.21         1000       
   Water     16.8            360          1000       
   Soil      82.9            720          1000       
   Sediment  0.287           3.24e+003    0          
     Persistence Time: 775 hr