CAS Num: 001227-51-6
SMILES : O=C(OC(C1)CCCCCCCCCCCCC)CC1
CHEM   : 2H-PYRAN-2-ONE, TETRAHYDRO-6-TRIDECYL-
MOL FOR: C18 H34 O2 
MOL WT : 282.47
------------------------------ 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) =  6.50

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  385.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  84.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.03E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00067  (Modified Grain method)
    Subcooled liquid VP: 1.89E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00252 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.04395
       log Kow used: 6.50 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0097591 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.42E-003  atm-m3/mole  (5.49E+002 Pa-m3/mole)
   Group Method:   3.79E-003  atm-m3/mole  (3.84E+002 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:  4.254E-005 atm-m3/mole  (4.310E+000 Pa-m3/mole)
      VP:   5.03E-006 mm Hg (source: MPBPVP)
      WS:   0.044 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.50  (KowWin est)
  Log Kaw used:  -0.654  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.154
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8957
   Biowin2 (Non-Linear Model)     :   0.9928
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0135  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9382  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8806
   Biowin6 (MITI Non-Linear Model):   0.9290
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6019
 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):  0.00252 Pa (1.89E-005 mm Hg)
  Log Koa (Koawin est  ): 7.154
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00119 
       Octanol/air (Koa) model:  3.5E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0412 
       Mackay model           :  0.087 
       Octanol/air (Koa) model:  0.00028 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.7379 E-12 cm3/molecule-sec
      Half-Life =     0.432 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.188 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0641 (Junge-Pankow, Mackay avg)
      0.00028 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.661E+004  L/kg (MCI method)
      Log Koc:  4.425       (MCI method)
      Koc    :  2.85E+004  L/kg (Kow method)
      Log Koc:  4.455       (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 = 2.579 (BCF = 379.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1546 days (HL = 0.7005 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.251 (BCF = 178.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.283 (BAF = 192.1)
       log Kow used: 6.50 (estimated)

 Volatilization from Water:
    Henry LC:  0.00379 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.975  hours
    Half-Life from Model Lake :      162.5  hours   (6.769 days)

 Removal In Wastewater Treatment:
    Total removal:              93.58  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    91.92  percent
    Total to Air:                0.90  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.31            10.4         1000       
   Water     14.4            360          1000       
   Soil      74.8            720          1000       
   Sediment  9.53            3.24e+003    0          
     Persistence Time: 461 hr