CAS Number: 5090-61-9
SMILES : CC1CC=CC2=CCC(CC12C)C(=C)C
CHEM   : (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naph
         thalene
MOL FOR: C15 H22 
MOL WT : 202.34
------------------------------ 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) =  6.09
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  255.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  30.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.029  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.87  (Modified Grain method)
    Subcooled liquid VP: 0.0325 mm Hg (25 deg C, Mod-Grain method)
                       : 4.33 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.07833
       log Kow used: 6.09 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.45994 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.95E-001  atm-m3/mole  (5.01E+004 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:  9.857E-002 atm-m3/mole  (9.987E+003 Pa-m3/mole)
      VP:   0.029 mm Hg (source: MPBPVP)
      WS:   0.0783 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.09  (KowWin est)
  Log Kaw used:  1.306  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.784
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4673
   Biowin2 (Non-Linear Model)     :   0.1697
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5399  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4024  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2940
   Biowin6 (MITI Non-Linear Model):   0.0940
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3856
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.7429
     BioHC Half-Life (days)     :  55.3184
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.33 Pa (0.0325 mm Hg)
  Log Koa (Koawin est  ): 4.784
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.92E-007 
       Octanol/air (Koa) model:  1.49E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.5E-005 
       Mackay model           :  5.54E-005 
       Octanol/air (Koa) model:  1.19E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 251.4513 E-12 cm3/molecule-sec
      Half-Life =     0.043 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.510 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    35.422501 E-17 cm3/molecule-sec
      Half-Life =     0.032 Days (at 7E11 mol/cm3)
      Half-Life =     46.587 Min
   Fraction sorbed to airborne particulates (phi):
      4.02E-005 (Junge-Pankow, Mackay avg)
      1.19E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.856E+004  L/kg (MCI method)
      Log Koc:  4.268       (MCI method)
      Koc    :  1.928E+005  L/kg (Kow method)
      Log Koc:  5.285       (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 v3.00):
   Log BCF from regression-based method = 3.683 (BCF = 4820 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.7075 days (HL = 51 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.977 (BCF = 9484)
   Log BAF Arnot-Gobas method (upper trophic) = 5.592 (BAF = 3.908e+005)
       log Kow used: 6.09 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.495 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.453  hours
    Half-Life from Model Lake :      135.1  hours   (5.63 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.08  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    62.73  percent
    Total to Air:               36.11  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.227           0.441        1000       
   Water     34.8            900          1000       
   Soil      29.8            1.8e+003     1000       
   Sediment  35.2            8.1e+003     0          
     Persistence Time: 230 hr