CAS Num: 087061-04-9
SMILES : OCC(COC1C(CCC(C1)C)C(C)C)O
CHEM   : 1,2-Propanediol, 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
MOL FOR: C13 H26 O3 
MOL WT : 230.35
------------------------------ 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) =  2.87

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  332.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  78.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.62E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000349  (Modified Grain method)
    Subcooled liquid VP: 8.37E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00112 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  108.1
       log Kow used: 2.87 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  26045 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.15E-008  atm-m3/mole  (1.16E-003 Pa-m3/mole)
   Group Method:   1.47E-012  atm-m3/mole  (1.49E-007 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:  7.346E-009 atm-m3/mole  (7.443E-004 Pa-m3/mole)
      VP:   2.62E-006 mm Hg (source: MPBPVP)
      WS:   108 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.87  (KowWin est)
  Log Kaw used:  -6.328  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.198
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6080
   Biowin2 (Non-Linear Model)     :   0.1891
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0014  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7646  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4458
   Biowin6 (MITI Non-Linear Model):   0.2343
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0842
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00112 Pa (8.37E-006 mm Hg)
  Log Koa (Koawin est  ): 9.198
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00269 
       Octanol/air (Koa) model:  0.000387 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0885 
       Mackay model           :  0.177 
       Octanol/air (Koa) model:  0.03 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  53.1572 E-12 cm3/molecule-sec
      Half-Life =     0.201 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.415 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.133 (Junge-Pankow, Mackay avg)
      0.03 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.55  L/kg (MCI method)
      Log Koc:  1.023       (MCI method)
      Koc    :  39.73  L/kg (Kow method)
      Log Koc:  1.599       (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 = 1.558 (BCF = 36.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6655 days (HL = 0.216 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.611 (BCF = 40.81)
   Log BAF Arnot-Gobas method (upper trophic) = 1.611 (BAF = 40.81)
       log Kow used: 2.87 (estimated)

 Volatilization from Water:
    Henry LC:  1.15E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 7.727E+004  hours   (3220 days)
    Half-Life from Model Lake : 8.431E+005  hours   (3.513E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               4.73  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.61  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       0.182           4.83         1000       
   Water     33.1            360          1000       
   Soil      66.7            720          1000       
   Sediment  0.0752          3.24e+003    0          
     Persistence Time: 530 hr