CAS Number: 16933-12-3
SMILES : CC1(C2CC3C1(C3C2)C)CCCO
CHEM   : 
MOL FOR: C12 H20 O1 
MOL WT : 180.29
------------------------------ 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) =  3.65
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  250.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00143  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.19  (Modified Grain method)
    Subcooled liquid VP: 0.00299 mm Hg (25 deg C, Mod-Grain method)
                       : 0.399 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  136.2
       log Kow used: 3.65 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  28.242 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.21E-006  atm-m3/mole  (5.28E-001 Pa-m3/mole)
   Group Method:   5.87E-007  atm-m3/mole  (5.95E-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:  2.491E-006 atm-m3/mole  (2.524E-001 Pa-m3/mole)
      VP:   0.00143 mm Hg (source: MPBPVP)
      WS:   136 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.65  (KowWin est)
  Log Kaw used:  -3.672  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.322
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4526
   Biowin2 (Non-Linear Model)     :   0.1324
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5365  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4102  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6980
   Biowin6 (MITI Non-Linear Model):   0.6306
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0975
 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):  0.399 Pa (0.00299 mm Hg)
  Log Koa (Koawin est  ): 7.322
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.53E-006 
       Octanol/air (Koa) model:  5.15E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000272 
       Mackay model           :  0.000602 
       Octanol/air (Koa) model:  0.000412 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.3591 E-12 cm3/molecule-sec
      Half-Life =     1.033 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.390 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000437 (Junge-Pankow, Mackay avg)
      0.000412 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  305  L/kg (MCI method)
      Log Koc:  2.484       (MCI method)
      Koc    :  340.9  L/kg (Kow method)
      Log Koc:  2.533       (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 = 2.074 (BCF = 118.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0959 days (HL = 0.8018 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.293 (BCF = 196.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.293 (BAF = 196.3)
       log Kow used: 3.65 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.87E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1341  hours   (55.86 days)
    Half-Life from Model Lake : 1.474E+004  hours   (614.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:              16.94  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    16.70  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.732           24.8         1000       
   Water     19.2            900          1000       
   Soil      79.7            1.8e+003     1000       
   Sediment  0.33            8.1e+003     0          
     Persistence Time: 1.08e+003 hr