CAS Number: 1143-54-0
SMILES : o(cc1)cc1C(CCC2C)N(CC(C3)C)C2C3
CHEM   : 2H-Quinolizine, 4-(3-furanyl)octahydro-1,7-dimethyl-, [1R-(1.alpha.,4
         .beta.,7.beta.,9a.alpha.)]- (9CI)
MOL FOR: C15 H23 N1 O1 
MOL WT : 233.36
------------------------------ EPI SUMMARY (v4.10) --------------------------
    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 v1.68 estimate) =  4.53
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  304.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  85.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000405  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.054  (Modified Grain method)
    Subcooled liquid VP: 0.00152 mm Hg (25 deg C, Mod-Grain method)
                       : 0.203 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  40.54
       log Kow used: 4.53 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  97.719 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.52E-006  atm-m3/mole  (5.59E-001 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:  3.067E-006 atm-m3/mole  (3.108E-001 Pa-m3/mole)
      VP:   0.000405 mm Hg (source: MPBPVP)
      WS:   40.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.53  (KowWin est)
  Log Kaw used:  -3.647  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.177
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4312
   Biowin2 (Non-Linear Model)     :   0.0739
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4287  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2231  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0848
   Biowin6 (MITI Non-Linear Model):   0.0267
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1328
 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):  0.203 Pa (0.00152 mm Hg)
  Log Koa (Koawin est  ): 8.177
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.48E-005 
       Octanol/air (Koa) model:  3.69E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000534 
       Mackay model           :  0.00118 
       Octanol/air (Koa) model:  0.00294 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 174.1131 E-12 cm3/molecule-sec
      Half-Life =     0.061 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.737 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000859 (Junge-Pankow, Mackay avg)
      0.00294 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.838E+004  L/kg (MCI method)
      Log Koc:  4.264       (MCI method)
      Koc    :  2320  L/kg (Kow method)
      Log Koc:  3.365       (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 = 2.653 (BCF = 450.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1087 days (HL = 1.284 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.669 (BCF = 466.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.670 (BAF = 467.6)
       log Kow used: 4.53 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.52E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      163.6  hours   (6.816 days)
    Half-Life from Model Lake :       1913  hours   (79.69 days)
 
 Removal In Wastewater Treatment:
    Total removal:              57.68  percent
    Total biodegradation:        0.53  percent
    Total sludge adsorption:    57.02  percent
    Total to Air:                0.12  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0584          1.47         1000       
   Water     14.1            900          1000       
   Soil      70.8            1.8e+003     1000       
   Sediment  15              8.1e+003     0          
     Persistence Time: 1.22e+003 hr