CAS Number: 8023-95-8
SMILES : OCC=C(CCC=C(C)C)C
CHEM   : Oils, immortelle
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ 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) =  3.47
    Log Kow (Exper. database match) =  3.56
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
    Log Kow (Exper. database match) =  3.47
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  239.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -10.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0159  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.12  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <-15 deg C
    BP  (exp database):  225 deg C
    VP  (exp database):  3.00E-02 mm Hg (4.00E+000 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  255.8
       log Kow used: 3.47 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  100 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
     Water Sol (Exper. database match) =  531 mg/L (25 deg C)
        Exper. Ref:  MILLER,DJ & HAWTHORNE,SB (2000A)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1012.6 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.89E-005  atm-m3/mole  (5.97E+000 Pa-m3/mole)
   Group Method:   1.12E-005  atm-m3/mole  (1.13E+000 Pa-m3/mole)
   Exper Database: 1.15E-05  atm-m3/mole  (1.17E+000 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:  1.262E-005 atm-m3/mole  (1.278E+000 Pa-m3/mole)
      VP:   0.0159 mm Hg (source: MPBPVP)
      WS:   256 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.47  (exp database)
  Log Kaw used:  -3.328  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.798
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8328
   Biowin2 (Non-Linear Model)     :   0.8739
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0183  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7546  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5762
   Biowin6 (MITI Non-Linear Model):   0.6179
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6611
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4 Pa (0.03 mm Hg)
  Log Koa (Koawin est  ): 6.798
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.5E-007 
       Octanol/air (Koa) model:  1.54E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.71E-005 
       Mackay model           :  6E-005 
       Octanol/air (Koa) model:  0.000123 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 179.9146 E-12 cm3/molecule-sec
      Half-Life =     0.059 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.713 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.000000 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     19.189 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.35E-005 (Junge-Pankow, Mackay avg)
      0.000123 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  94.15  L/kg (MCI method)
      Log Koc:  1.974       (MCI method)
      Koc    :  271  L/kg (Kow method)
      Log Koc:  2.433       (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 = 1.957 (BCF = 90.47 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0779 days (HL = 1.196 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.284 (BCF = 192.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.284 (BAF = 192.5)
       log Kow used: 3.47 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.15E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       64.5  hours   (2.687 days)
    Half-Life from Model Lake :      807.8  hours   (33.66 days)
 
 Removal In Wastewater Treatment:
    Total removal:              12.90  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    12.15  percent
    Total to Air:                0.57  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0317          0.261        1000       
   Water     28.2            360          1000       
   Soil      71.6            720          1000       
   Sediment  0.158           3.24e+003    0          
     Persistence Time: 424 hr