CAS Number: 8015-90-5
SMILES : C(=CCC(C(=C)C)C1)(C1)C
CHEM   : Oils, celery
MOL FOR: C10 H16 
MOL WT : 136.24
------------------------------ 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) =  4.83
    Log Kow (Exper. database match) =  4.57
       Exper. Ref:  LI,J & PERDUE,EM (1995)
    Log Kow (Exper. database match) =  4.38
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  167.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -40.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.45  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  193  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  178 deg C
    VP  (exp database):  1.44E+00 mm Hg (1.92E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.581
       log Kow used: 4.38 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  7.57 mg/L (25 deg C)
        Exper. Ref:  MILLER,DJ & HAWTHORNE,SB (2000A)
     Water Sol (Exper. database match) =  13.8 mg/L (25 deg C)
        Exper. Ref:  MASSALDI,HA & KING,CJ (1973)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  44.388 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.80E-001  atm-m3/mole  (3.85E+004 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 3.19E-02  atm-m3/mole  (3.23E+003 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:  5.674E-002 atm-m3/mole  (5.749E+003 Pa-m3/mole)
      VP:   1.45 mm Hg (source: MPBPVP)
      WS:   4.58 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.38  (exp database)
  Log Kaw used:  0.115  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.265
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6827
   Biowin2 (Non-Linear Model)     :   0.7454
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8981  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6512  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3978
   Biowin6 (MITI Non-Linear Model):   0.3312
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1358
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5696
     BioHC Half-Life (days)     :   3.7120
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  192 Pa (1.44 mm Hg)
  Log Koa (Koawin est  ): 4.265
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.56E-008 
       Octanol/air (Koa) model:  4.52E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.64E-007 
       Mackay model           :  1.25E-006 
       Octanol/air (Koa) model:  3.61E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 145.2177 E-12 cm3/molecule-sec
      Half-Life =     0.074 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.884 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.200001 E-17 cm3/molecule-sec
      Half-Life =     0.026 Days (at 7E11 mol/cm3)
      Half-Life =     37.336 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      9.07E-007 (Junge-Pankow, Mackay avg)
      3.61E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1120  L/kg (MCI method)
      Log Koc:  3.049       (MCI method)
      Koc    :  6324  L/kg (Kow method)
      Log Koc:  3.801       (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 = 2.557 (BCF = 360.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5478 days (HL = 3.531 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.963 (BCF = 917.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.969 (BAF = 931.1)
       log Kow used: 4.38 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.0319 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.212  hours
    Half-Life from Model Lake :      111.1  hours   (4.629 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.42  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:    31.45  percent
    Total to Air:               62.83  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.298           0.334        1000       
   Water     50.2            360          1000       
   Soil      47.5            720          1000       
   Sediment  1.96            3.24e+003    0          
     Persistence Time: 123 hr