CAS Number: 141773-73-1
SMILES : CCC(=O)OCC(C)(C)OC(C)C1CCCC(C1)(C)C
CHEM   : [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl]propanoate
MOL FOR: C17 H32 O3 
MOL WT : 284.44
------------------------------ 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) =  5.51
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  311.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  77.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000327  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0436  (Modified Grain method)
    Subcooled liquid VP: 0.00104 mm Hg (25 deg C, Mod-Grain method)
                       : 0.138 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2975
       log Kow used: 5.51 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.395 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.60E-005  atm-m3/mole  (3.65E+000 Pa-m3/mole)
   Group Method:   4.45E-006  atm-m3/mole  (4.51E-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:  4.114E-004 atm-m3/mole  (4.168E+001 Pa-m3/mole)
      VP:   0.000327 mm Hg (source: MPBPVP)
      WS:   0.297 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.51  (KowWin est)
  Log Kaw used:  -2.832  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.342
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0711
   Biowin2 (Non-Linear Model)     :   0.0213
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2779  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3497  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4883
   Biowin6 (MITI Non-Linear Model):   0.2981
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9497
 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):  0.139 Pa (0.00104 mm Hg)
  Log Koa (Koawin est  ): 8.342
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.16E-005 
       Octanol/air (Koa) model:  5.4E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000781 
       Mackay model           :  0.00173 
       Octanol/air (Koa) model:  0.0043 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.9592 E-12 cm3/molecule-sec
      Half-Life =     0.345 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.146 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00125 (Junge-Pankow, Mackay avg)
      0.0043 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1590  L/kg (MCI method)
      Log Koc:  3.201       (MCI method)
      Koc    :  6556  L/kg (Kow method)
      Log Koc:  3.817       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.374E-002  L/mol-sec
  Kb Half-Life at pH 8:     237.784  days   
  Kb Half-Life at pH 7:       6.510  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.303 (BCF = 2008 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2282 days (HL = 0.5913 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.369 (BCF = 233.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.372 (BAF = 235.4)
       log Kow used: 5.51 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.45E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      223.6  hours   (9.317 days)
    Half-Life from Model Lake :       2581  hours   (107.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:              88.41  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    87.65  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.342           8.29         1000       
   Water     17.6            900          1000       
   Soil      80.5            1.8e+003     1000       
   Sediment  1.55            8.1e+003     0          
     Persistence Time: 1.06e+003 hr