CAS Number: 3055-93-4
SMILES : O(CCCCCCCCCCCC)CCOCCO
CHEM   : Ethanol, 2- 2-(dodecyloxy)ethoxy -
MOL FOR: C16 H34 O3 
MOL WT : 274.45
------------------------------ 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) =  4.22
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  355.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  98.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.05E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.4E-005  (Modified Grain method)
    Subcooled liquid VP: 3.61E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000482 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  13.86
       log Kow used: 4.22 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  28.944 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.47E-008  atm-m3/mole  (1.49E-003 Pa-m3/mole)
   Group Method:   7.05E-010  atm-m3/mole  (7.15E-005 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:  1.837E-008 atm-m3/mole  (1.861E-003 Pa-m3/mole)
      VP:   7.05E-007 mm Hg (source: MPBPVP)
      WS:   13.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.22  (KowWin est)
  Log Kaw used:  -6.221  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.441
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1893
   Biowin2 (Non-Linear Model)     :   0.0083
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0336  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8308  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8014
   Biowin6 (MITI Non-Linear Model):   0.8646
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4469
 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):  0.000481 Pa (3.61E-006 mm Hg)
  Log Koa (Koawin est  ): 10.441
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00623 
       Octanol/air (Koa) model:  0.00678 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.184 
       Mackay model           :  0.333 
       Octanol/air (Koa) model:  0.352 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  48.8334 E-12 cm3/molecule-sec
      Half-Life =     0.219 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.628 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.258 (Junge-Pankow, Mackay avg)
      0.352 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  279.5  L/kg (MCI method)
      Log Koc:  2.446       (MCI method)
      Koc    :  464.2  L/kg (Kow method)
      Log Koc:  2.667       (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 = 1.078 (BCF = 11.96 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4096 days (HL = 0.3894 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.180 (BCF = 151.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.180 (BAF = 151.3)
       log Kow used: 4.22 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.05E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.376E+006  hours   (5.733E+004 days)
    Half-Life from Model Lake : 1.501E+007  hours   (6.254E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              40.99  percent
    Total biodegradation:        0.41  percent
    Total sludge adsorption:    40.58  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       0.015           5.26         1000       
   Water     17.5            360          1000       
   Soil      82.2            720          1000       
   Sediment  0.216           3.24e+003    0          
     Persistence Time: 754 hr