CAS Num: 005421-12-5
SMILES : O(C(OC1C)CCCCCCCCC)C1
CHEM   : 1,3-Dioxolane, 4-methyl-2-nonyl-
MOL FOR: C13 H26 O2 
MOL WT : 214.35
------------------------------ 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) =  4.46

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  270.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.013  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.74  (Modified Grain method)
    Subcooled liquid VP: 0.0156 mm Hg (25 deg C, Mod-Grain method)
                       : 2.08 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.763
       log Kow used: 4.46 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.413 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.79E-004  atm-m3/mole  (3.84E+001 Pa-m3/mole)
   Group Method:   2.13E-004  atm-m3/mole  (2.16E+001 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:  6.362E-004 atm-m3/mole  (6.446E+001 Pa-m3/mole)
      VP:   0.013 mm Hg (source: MPBPVP)
      WS:   5.76 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.46  (KowWin est)
  Log Kaw used:  -1.810  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.270
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0592
   Biowin2 (Non-Linear Model)     :   0.0064
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0065  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7881  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5182
   Biowin6 (MITI Non-Linear Model):   0.3955
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0115
 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):  2.08 Pa (0.0156 mm Hg)
  Log Koa (Koawin est  ): 6.270
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.44E-006 
       Octanol/air (Koa) model:  4.57E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.21E-005 
       Mackay model           :  0.000115 
       Octanol/air (Koa) model:  3.66E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.7649 E-12 cm3/molecule-sec
      Half-Life =     0.348 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.172 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      8.37E-005 (Junge-Pankow, Mackay avg)
      3.66E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  473.7  L/kg (MCI method)
      Log Koc:  2.675       (MCI method)
      Koc    :  1625  L/kg (Kow method)
      Log Koc:  3.211       (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 = 1.233 (BCF = 17.11 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0758 days (HL = 1.191 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.632 (BCF = 428.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.632 (BAF = 429)
       log Kow used: 4.46 (estimated)

 Volatilization from Water:
    Henry LC:  0.000379 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.756  hours
    Half-Life from Model Lake :      163.7  hours   (6.822 days)

 Removal In Wastewater Treatment:
    Total removal:              58.36  percent
    Total biodegradation:        0.47  percent
    Total sludge adsorption:    51.23  percent
    Total to Air:                6.66  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.38            8.34         1000       
   Water     20.1            360          1000       
   Soil      78.1            720          1000       
   Sediment  0.378           3.24e+003    0          
     Persistence Time: 381 hr