CAS Number: 79473-24-8
SMILES : C=CCC=CCC=CCCCCCCCc1cc(cc(c1)O)O
CHEM   : 
MOL FOR: C21 H30 O2 
MOL WT : 314.47
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  7.89
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  436.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  171.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.24E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.65E-007  (Modified Grain method)
    Subcooled liquid VP: 4.03E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 5.37E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.007032
       log Kow used: 7.89 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.040551 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.96E-009  atm-m3/mole  (1.99E-004 Pa-m3/mole)
   Group Method:   2.62E-010  atm-m3/mole  (2.66E-005 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:  7.296E-008 atm-m3/mole  (7.393E-003 Pa-m3/mole)
      VP:   1.24E-009 mm Hg (source: MPBPVP)
      WS:   0.00703 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.89  (KowWin est)
  Log Kaw used:  -7.096  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.986
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8841
   Biowin2 (Non-Linear Model)     :   0.7186
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5421  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4049  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3126
   Biowin6 (MITI Non-Linear Model):   0.1539
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2827
 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):  5.37E-006 Pa (4.03E-008 mm Hg)
  Log Koa (Koawin est  ): 14.986
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.558 
       Octanol/air (Koa) model:  238 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.953 
       Mackay model           :  0.978 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 350.6109 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 365.8109 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   21.965 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   21.052 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    27.200001 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    41.200001 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    60.671 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    40.054 Min (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.965 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.8E+006  L/kg (MCI method)
      Log Koc:  6.255       (MCI method)
      Koc    :  4.197E+005  L/kg (Kow method)
      Log Koc:  5.623       (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 = 3.092 (BCF = 1236 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2340 days (HL = 1.714 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.624 (BCF = 42.04)
   Log BAF Arnot-Gobas method (upper trophic) = 2.318 (BAF = 208)
       log Kow used: 7.89 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.62E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.963E+006  hours   (1.651E+005 days)
    Half-Life from Model Lake : 4.323E+007  hours   (1.801E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.01  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.23  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       0.00639         0.425        1000       
   Water     4.02            900          1000       
   Soil      39              1.8e+003     1000       
   Sediment  57              8.1e+003     0          
     Persistence Time: 2.59e+003 hr