CAS Number: 30199-26-9
SMILES : Oc(cc(c1)C(C)CCC=C(C)C)c(c1)C
CHEM   : PHENOL, 5-(1,5-DIMETHYL-4-HEXENYL)-2-METHYL-, (R)-
MOL FOR: C15 H22 O1 
MOL WT : 218.34
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  5.81
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  316.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  86.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.27E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00836  (Modified Grain method)
    Subcooled liquid VP: 0.000246 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0328 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.45
       log Kow used: 5.81 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.043 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.15E-006  atm-m3/mole  (5.22E-001 Pa-m3/mole)
   Group Method:   2.08E-006  atm-m3/mole  (2.11E-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:  1.242E-005 atm-m3/mole  (1.259E+000 Pa-m3/mole)
      VP:   6.27E-005 mm Hg (source: MPBPVP)
      WS:   1.45 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.81  (KowWin est)
  Log Kaw used:  -3.677  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.487
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8687
   Biowin2 (Non-Linear Model)     :   0.8777
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6233  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4354  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2894
   Biowin6 (MITI Non-Linear Model):   0.1957
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0829
 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):  0.0328 Pa (0.000246 mm Hg)
  Log Koa (Koawin est  ): 9.487
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.15E-005 
       Octanol/air (Koa) model:  0.000753 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00329 
       Mackay model           :  0.00726 
       Octanol/air (Koa) model:  0.0568 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 189.4893 E-12 cm3/molecule-sec
      Half-Life =     0.056 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.677 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00528 (Junge-Pankow, Mackay avg)
      0.0568 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.597E+004  L/kg (MCI method)
      Log Koc:  4.414       (MCI method)
      Koc    :  2.021E+004  L/kg (Kow method)
      Log Koc:  4.306       (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 = 3.502 (BCF = 3179 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2768 days (HL = 1.891 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.836 (BCF = 686.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.885 (BAF = 767.3)
       log Kow used: 5.81 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.08E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      417.4  hours   (17.39 days)
    Half-Life from Model Lake :       4678  hours   (194.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:              91.15  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    90.38  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       0.0163          0.434        1000       
   Water     13.4            900          1000       
   Soil      67.3            1.8e+003     1000       
   Sediment  19.3            8.1e+003     0          
     Persistence Time: 1.28e+003 hr