CAS Number: 110-37-2
SMILES : CCCCCCCCCCCCCC(=O)OCCOC
CHEM   : 
MOL FOR: C17 H34 O3 
MOL WT : 286.46
------------------------------ 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) =  5.99
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  337.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  78.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.1E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0108  (Modified Grain method)
    Subcooled liquid VP: 0.000259 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0346 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.1123
       log Kow used: 5.99 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.24878 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.16E-005  atm-m3/mole  (8.27E+000 Pa-m3/mole)
   Group Method:   1.58E-005  atm-m3/mole  (1.60E+000 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:  2.719E-004 atm-m3/mole  (2.755E+001 Pa-m3/mole)
      VP:   8.1E-005 mm Hg (source: MPBPVP)
      WS:   0.112 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.99  (KowWin est)
  Log Kaw used:  -2.477  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.467
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5464
   Biowin2 (Non-Linear Model)     :   0.8076
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9960  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9227  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8978
   Biowin6 (MITI Non-Linear Model):   0.9338
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6377
 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):  0.0345 Pa (0.000259 mm Hg)
  Log Koa (Koawin est  ): 8.467
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.69E-005 
       Octanol/air (Koa) model:  7.19E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00313 
       Mackay model           :  0.0069 
       Octanol/air (Koa) model:  0.00572 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.4782 E-12 cm3/molecule-sec
      Half-Life =     0.420 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.038 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00501 (Junge-Pankow, Mackay avg)
      0.00572 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3501  L/kg (MCI method)
      Log Koc:  3.544       (MCI method)
      Koc    :  1.208E+004  L/kg (Kow method)
      Log Koc:  4.082       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.204E-002  L/mol-sec
  Kb Half-Life at pH 8:     129.295  days   
  Kb Half-Life at pH 7:       3.540  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.246 (BCF = 176.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3509 days (HL = 0.4458 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.197 (BCF = 157.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.201 (BAF = 158.9)
       log Kow used: 5.99 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.58E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      64.44  hours   (2.685 days)
    Half-Life from Model Lake :      844.9  hours   (35.21 days)
 
 Removal In Wastewater Treatment:
    Total removal:              92.11  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.33  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.934           10.1         1000       
   Water     23.1            360          1000       
   Soil      73.5            720          1000       
   Sediment  2.42            3.24e+003    0          
     Persistence Time: 471 hr