CAS Number: 544714-08-1
SMILES : CC1CCC(C(C1)OC(=O)CCC(=O)N(C)C)C(C)C
CHEM   : [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-(dimethylamino)-4-oxo-
         butanoate
MOL FOR: C16 H29 N1 O3 
MOL WT : 283.41
------------------------------ EPI SUMMARY (v4.00) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.56
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  361.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  110.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.02E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00136  (Modified Grain method)
    Subcooled liquid VP: 7.09E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00945 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  13.96
       log Kow used: 3.56 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  162.97 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.62E-010  atm-m3/mole  (9.75E-005 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.725E-007 atm-m3/mole  (2.761E-002 Pa-m3/mole)
      VP:   1.02E-005 mm Hg (source: MPBPVP)
      WS:   14 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.56  (KowWin est)
  Log Kaw used:  -7.405  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.965
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9969
   Biowin2 (Non-Linear Model)     :   0.9968
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6589  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8732  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4861
   Biowin6 (MITI Non-Linear Model):   0.2411
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3134
 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):  0.00945 Pa (7.09E-005 mm Hg)
  Log Koa (Koawin est  ): 10.965
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000317 
       Octanol/air (Koa) model:  0.0226 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0113 
       Mackay model           :  0.0248 
       Octanol/air (Koa) model:  0.644 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  36.4744 E-12 cm3/molecule-sec
      Half-Life =     0.293 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.519 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.018 (Junge-Pankow, Mackay avg)
      0.644 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  503.1  L/kg (MCI method)
      Log Koc:  2.702       (MCI method)
      Koc    :  604.3  L/kg (Kow method)
      Log Koc:  2.781       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.114E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.972  years  
  Kb Half-Life at pH 7:      19.724  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.016 (BCF = 103.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1161 days (HL = 0.07653 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.482 (BCF = 30.31)
   Log BAF Arnot-Gobas method (upper trophic) = 1.482 (BAF = 30.31)
       log Kow used: 3.56 (estimated)
 
 Volatilization from Water:
    Henry LC:  9.62E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.025E+006  hours   (4.269E+004 days)
    Half-Life from Model Lake : 1.118E+007  hours   (4.657E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.47  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.27  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       0.00722         7.04         1000       
   Water     12.7            900          1000       
   Soil      86.9            1.8e+003     1000       
   Sediment  0.353           8.1e+003     0          
     Persistence Time: 1.76e+003 hr