CAS Number: 94021-78-0
SMILES : C1(CCCOC(=O)C(C)C)CCCCC1
CHEM   : 3-cyclohexylpropyl 2-methylpropanoate
MOL FOR: C13 H24 O2 
MOL WT : 212.34
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  5.02
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  262.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  18.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0141  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.88  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.933
       log Kow used: 5.02 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15.388 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.31E-003  atm-m3/mole  (1.33E+002 Pa-m3/mole)
   Group Method:   7.56E-004  atm-m3/mole  (7.66E+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:  2.038E-003 atm-m3/mole  (2.065E+002 Pa-m3/mole)
      VP:   0.0141 mm Hg (source: MPBPVP)
      WS:   1.93 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.02  (KowWin est)
  Log Kaw used:  -1.271  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.291
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8206
   Biowin2 (Non-Linear Model)     :   0.9833
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8701  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7703  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6337
   Biowin6 (MITI Non-Linear Model):   0.7545
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2003
 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):  1.88 Pa (0.0141 mm Hg)
  Log Koa (Koawin est  ): 6.291
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.6E-006 
       Octanol/air (Koa) model:  4.8E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.76E-005 
       Mackay model           :  0.000128 
       Octanol/air (Koa) model:  3.84E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.2755 E-12 cm3/molecule-sec
      Half-Life =     0.657 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.886 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.26E-005 (Junge-Pankow, Mackay avg)
      3.84E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1136  L/kg (MCI method)
      Log Koc:  3.055       (MCI method)
      Koc    :  4327  L/kg (Kow method)
      Log Koc:  3.636       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.709E-002  L/mol-sec
  Kb Half-Life at pH 8:     216.263  days   
  Kb Half-Life at pH 7:       5.921  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.982 (BCF = 960.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4324 days (HL = 0.3695 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.183 (BCF = 152.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.184 (BAF = 152.6)
       log Kow used: 5.02 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000756 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.615  hours
    Half-Life from Model Lake :      150.7  hours   (6.28 days)
 
 Removal In Wastewater Treatment:
    Total removal:              80.32  percent
    Total biodegradation:        0.63  percent
    Total sludge adsorption:    74.86  percent
    Total to Air:                4.83  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.37            15.8         1000       
   Water     18              360          1000       
   Soil      78.9            720          1000       
   Sediment  0.708           3.24e+003    0          
     Persistence Time: 389 hr