CAS Number: 926-98-7
SMILES : CC=CC(C=C(C)C)O
CHEM   : 
MOL FOR: C8 H14 O1 
MOL WT : 126.20
------------------------------ 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) =  2.36
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  188.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -37.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.143  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  19.1  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2982
       log Kow used: 2.36 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10018 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 :   2.83E-005  atm-m3/mole  (2.87E+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:  7.963E-006 atm-m3/mole  (8.068E-001 Pa-m3/mole)
      VP:   0.143 mm Hg (source: MPBPVP)
      WS:   2.98E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.36  (KowWin est)
  Log Kaw used:  -2.937  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.297
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8462
   Biowin2 (Non-Linear Model)     :   0.9117
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0803  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7951  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4670
   Biowin6 (MITI Non-Linear Model):   0.4827
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3437
 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):  17.1 Pa (0.128 mm Hg)
  Log Koa (Koawin est  ): 5.297
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.76E-007 
       Octanol/air (Koa) model:  4.86E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.35E-006 
       Mackay model           :  1.41E-005 
       Octanol/air (Koa) model:  3.89E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 150.6380 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 158.2380 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.852 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.811 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    56.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    63.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     0.491 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.437 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.02E-005 (Junge-Pankow, Mackay avg)
      3.89E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  28.35  L/kg (MCI method)
      Log Koc:  1.453       (MCI method)
      Koc    :  65.92  L/kg (Kow method)
      Log Koc:  1.819       (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 = 1.223 (BCF = 16.71 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3569 days (HL = 0.4397 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.331 (BCF = 21.44)
   Log BAF Arnot-Gobas method (upper trophic) = 1.331 (BAF = 21.44)
       log Kow used: 2.36 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.83E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      24.39  hours   (1.016 days)
    Half-Life from Model Lake :      360.2  hours   (15.01 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.24  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.63  percent
    Total to Air:                1.52  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0608          0.381        1000       
   Water     33.9            360          1000       
   Soil      65.9            720          1000       
   Sediment  0.102           3.24e+003    0          
     Persistence Time: 365 hr