CAS Number: 72484-69-6
SMILES : CCCCCCCCCCCCC(CCCCCCCCCC)COCC(C)OCCO
CHEM   : 
MOL FOR: C29 H60 O3 
MOL WT : 456.80
------------------------------ 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) =  10.46
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  492.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  188.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.13E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.17E-010  (Modified Grain method)
    Subcooled liquid VP: 3.18E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 4.24E-008 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.115e-006
       log Kow used: 10.46 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4127e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.84E-007  atm-m3/mole  (5.92E-002 Pa-m3/mole)
   Group Method:   1.25E-007  atm-m3/mole  (1.27E-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:  7.203E-007 atm-m3/mole  (7.299E-002 Pa-m3/mole)
      VP:   6.13E-012 mm Hg (source: MPBPVP)
      WS:   5.12E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.46  (KowWin est)
  Log Kaw used:  -4.622  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.082
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2109
   Biowin2 (Non-Linear Model)     :   0.0039
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9290  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8368  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6031
   Biowin6 (MITI Non-Linear Model):   0.5732
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1278
 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):  4.24E-008 Pa (3.18E-010 mm Hg)
  Log Koa (Koawin est  ): 15.082
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  70.8 
       Octanol/air (Koa) model:  296 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  78.2470 E-12 cm3/molecule-sec
      Half-Life =     0.137 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.640 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.545E+005  L/kg (MCI method)
      Log Koc:  5.744       (MCI method)
      Koc    :  1.313E+006  L/kg (Kow method)
      Log Koc:  6.118       (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 = 1.833 (BCF = 68.07 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.3994 days (HL = 25.08 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.404 (BCF = 2.534)
   Log BAF Arnot-Gobas method (upper trophic) = 2.997 (BAF = 992)
       log Kow used: 10.46 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.25E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.001E+004  hours   (417.2 days)
    Half-Life from Model Lake : 1.094E+005  hours   (4559 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.265           3.28         1000       
   Water     23              360          1000       
   Soil      76.5            720          1000       
   Sediment  0.261           3.24e+003    0          
     Persistence Time: 501 hr