CAS Number: 42495-69-2
SMILES : CC(=CCCC1(C2CCC(C2)C1=C)C)CO
CHEM   : 
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ 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) =  5.18
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  309.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  80.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.37E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00983  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  177.5 @ 17 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.188
       log Kow used: 5.18 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.5005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.52E-005  atm-m3/mole  (2.56E+000 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:  5.102E-006 atm-m3/mole  (5.170E-001 Pa-m3/mole)
      VP:   7.37E-005 mm Hg (source: MPBPVP)
      WS:   4.19 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.18  (KowWin est)
  Log Kaw used:  -2.987  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.167
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6174
   Biowin2 (Non-Linear Model)     :   0.3261
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6601  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5058  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5370
   Biowin6 (MITI Non-Linear Model):   0.3614
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0517
 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):  0.00983 Pa (7.37E-005 mm Hg)
  Log Koa (Koawin est  ): 8.167
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000305 
       Octanol/air (Koa) model:  3.61E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0109 
       Mackay model           :  0.0238 
       Octanol/air (Koa) model:  0.00288 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 149.6425 E-12 cm3/molecule-sec
      Half-Life =     0.071 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.858 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.137501 E-17 cm3/molecule-sec
      Half-Life =     0.026 Days (at 7E11 mol/cm3)
      Half-Life =     37.389 Min
   Fraction sorbed to airborne particulates (phi):
      0.0174 (Junge-Pankow, Mackay avg)
      0.00288 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1702  L/kg (MCI method)
      Log Koc:  3.231       (MCI method)
      Koc    :  2393  L/kg (Kow method)
      Log Koc:  3.379       (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 = 3.084 (BCF = 1214 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9506 days (HL = 8.924 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.437 (BCF = 2733)
   Log BAF Arnot-Gobas method (upper trophic) = 3.605 (BAF = 4031)
       log Kow used: 5.18 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.52E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:         36  hours   (1.5 days)
    Half-Life from Model Lake :      517.2  hours   (21.55 days)
 
 Removal In Wastewater Treatment:
    Total removal:              82.71  percent
    Total biodegradation:        0.71  percent
    Total sludge adsorption:    81.83  percent
    Total to Air:                0.17  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0239          0.457        1000       
   Water     16.4            900          1000       
   Soil      82.1            1.8e+003     1000       
   Sediment  1.56            8.1e+003     0          
     Persistence Time: 1.03e+003 hr