CAS Number: 93963-11-2
SMILES : C1(O)(CCC=CCC)CCCCC1
CHEM   : 1-[(Z)-hex-3-enyl]cyclohexan-1-ol
MOL FOR: C12 H22 O1 
MOL WT : 182.31
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  263.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  39.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000999  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.133  (Modified Grain method)
    Subcooled liquid VP: 0.00135 mm Hg (25 deg C, Mod-Grain method)
                       : 0.18 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  34.73
       log Kow used: 4.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  165.27 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.36E-005  atm-m3/mole  (2.39E+000 Pa-m3/mole)
   Group Method:   4.99E-006  atm-m3/mole  (5.06E-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:  6.900E-006 atm-m3/mole  (6.992E-001 Pa-m3/mole)
      VP:   0.000999 mm Hg (source: MPBPVP)
      WS:   34.7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.33  (KowWin est)
  Log Kaw used:  -3.016  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.346
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5853
   Biowin2 (Non-Linear Model)     :   0.6319
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8825  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7003  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4971
   Biowin6 (MITI Non-Linear Model):   0.5521
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5646
 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):  0.18 Pa (0.00135 mm Hg)
  Log Koa (Koawin est  ): 7.346
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.67E-005 
       Octanol/air (Koa) model:  5.45E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000602 
       Mackay model           :  0.00133 
       Octanol/air (Koa) model:  0.000435 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  76.1258 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  83.7258 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.686 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.533 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000967 (Junge-Pankow, Mackay avg)
      0.000435 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  354.2  L/kg (MCI method)
      Log Koc:  2.549       (MCI method)
      Koc    :  810.4  L/kg (Kow method)
      Log Koc:  2.909       (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 = 2.525 (BCF = 334.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0589 days (HL = 1.145 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.598 (BCF = 396.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.599 (BAF = 397.1)
       log Kow used: 4.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.99E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      159.8  hours   (6.658 days)
    Half-Life from Model Lake :       1856  hours   (77.35 days)
 
 Removal In Wastewater Treatment:
    Total removal:              46.99  percent
    Total biodegradation:        0.45  percent
    Total sludge adsorption:    46.40  percent
    Total to Air:                0.14  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.139           1.3          1000       
   Water     25.5            360          1000       
   Soil      74              720          1000       
   Sediment  0.379           3.24e+003    0          
     Persistence Time: 452 hr