CAS Number: 71648-34-5
SMILES : CC(C)(C1CCC(=C)CC1)OC(=O)c2ccccc2
CHEM   : 2-(4-methylidenecyclohexyl)propan-2-yl benzoate
MOL FOR: C17 H22 O2 
MOL WT : 258.36
------------------------------ 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) =  5.87
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  330.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  89.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.16E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0122  (Modified Grain method)
    Subcooled liquid VP: 0.000385 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0514 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2059
       log Kow used: 5.87 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.6886 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.72E-004  atm-m3/mole  (1.75E+001 Pa-m3/mole)
   Group Method:   2.28E-005  atm-m3/mole  (2.31E+000 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:  1.512E-004 atm-m3/mole  (1.532E+001 Pa-m3/mole)
      VP:   9.16E-005 mm Hg (source: MPBPVP)
      WS:   0.206 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.87  (KowWin est)
  Log Kaw used:  -2.153  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.023
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7429
   Biowin2 (Non-Linear Model)     :   0.9706
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5783  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5554  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5005
   Biowin6 (MITI Non-Linear Model):   0.3602
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3321
 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):  0.0513 Pa (0.000385 mm Hg)
  Log Koa (Koawin est  ): 8.023
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.84E-005 
       Octanol/air (Koa) model:  2.59E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00211 
       Mackay model           :  0.00465 
       Octanol/air (Koa) model:  0.00207 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  62.2458 E-12 cm3/molecule-sec
      Half-Life =     0.172 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.062 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00338 (Junge-Pankow, Mackay avg)
      0.00207 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9734  L/kg (MCI method)
      Log Koc:  3.988       (MCI method)
      Koc    :  1.278E+004  L/kg (Kow method)
      Log Koc:  4.106       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.194E-003  L/mol-sec
  Kb Half-Life at pH 8:       6.875  years  
  Kb Half-Life at pH 7:      68.753  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.541 (BCF = 3472 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0677 days (HL = 0.8556 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.494 (BCF = 311.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.506 (BAF = 320.7)
       log Kow used: 5.87 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.28E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      42.92  hours   (1.788 days)
    Half-Life from Model Lake :      602.9  hours   (25.12 days)
 
 Removal In Wastewater Treatment:
    Total removal:              91.52  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    90.72  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       0.157           3.49         1000       
   Water     14.7            900          1000       
   Soil      77.1            1.8e+003     1000       
   Sediment  8.04            8.1e+003     0          
     Persistence Time: 1.12e+003 hr