CAS Num: 000462-95-3
SMILES : O(CC)COCC
CHEM   : Ethane, 1,1'- methylenebis(oxy) bis-
MOL FOR: C5 H12 O2 
MOL WT : 104.15
------------------------------ 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) =  0.79
    Log Kow (Exper. database match) =  0.84
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  98.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -69.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  70.2  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  9.36E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -66.5 deg C
    BP  (exp database):  88 deg C
    VP  (exp database):  3.41E+01 mm Hg (4.55E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.178e+004
       log Kow used: 0.84 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  7e+004 mg/L (18 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  65599 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.91E-005  atm-m3/mole  (9.03E+000 Pa-m3/mole)
   Group Method:   3.70E-004  atm-m3/mole  (3.75E+001 Pa-m3/mole)
   Exper Database: 6.68E-05  atm-m3/mole  (6.77E+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:  4.417E-004 atm-m3/mole  (4.475E+001 Pa-m3/mole)
      VP:   70.2 mm Hg (source: MPBPVP)
      WS:   2.18E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.84  (exp database)
  Log Kaw used:  -2.564  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.404
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0032
   Biowin2 (Non-Linear Model)     :   0.0048
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9517  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6780  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5543
   Biowin6 (MITI Non-Linear Model):   0.6529
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2404
 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):  4.55E+003 Pa (34.1 mm Hg)
  Log Koa (Koawin est  ): 3.404
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.6E-010 
       Octanol/air (Koa) model:  6.22E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.38E-008 
       Mackay model           :  5.28E-008 
       Octanol/air (Koa) model:  4.98E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.7652 E-12 cm3/molecule-sec
      Half-Life =     0.678 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.141 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.83E-008 (Junge-Pankow, Mackay avg)
      4.98E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.329  L/kg (MCI method)
      Log Koc:  0.636       (MCI method)
      Koc    :  16.16  L/kg (Kow method)
      Log Koc:  1.209       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0297 days (HL = 0.09339 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.167 (BCF = 1.468)
   Log BAF Arnot-Gobas method (upper trophic) = 0.167 (BAF = 1.468)
       log Kow used: 0.84 (expkow database)

 Volatilization from Water:
    Henry LC:  6.68E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      9.986  hours
    Half-Life from Model Lake :      194.5  hours   (8.105 days)

 Removal In Wastewater Treatment:
    Total removal:               5.23  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.73  percent
    Total to Air:                3.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.36            15.3         1000       
   Water     45              360          1000       
   Soil      51.6            720          1000       
   Sediment  0.0905          3.24e+003    0          
     Persistence Time: 272 hr