CAS Num: 068916-05-2
SMILES : c1(OC)c(O)ccc(CC=C)c1
CHEM   : Oils, bay, terpene-free
MOL FOR: C10 H12 O2 
MOL WT : 164.21
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.73
    Log Kow (Exper. database match) =  2.27
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  264.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00948  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.26  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -9.1 deg C
    BP  (exp database):  253.2 deg C
    VP  (exp database):  2.26E-02 mm Hg (3.01E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  754
       log Kow used: 2.27 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2460 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  979.83 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.81E-008  atm-m3/mole  (4.87E-003 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.99E-06  atm-m3/mole  (2.02E-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:  2.717E-006 atm-m3/mole  (2.753E-001 Pa-m3/mole)
      VP:   0.00948 mm Hg (source: MPBPVP)
      WS:   754 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.27  (exp database)
  Log Kaw used:  -4.090  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.360
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9718
   Biowin2 (Non-Linear Model)     :   0.9880
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7597  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6591  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4710
   Biowin6 (MITI Non-Linear Model):   0.4843
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3866
 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):  3.01 Pa (0.0226 mm Hg)
  Log Koa (Koawin est  ): 6.360
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.96E-007 
       Octanol/air (Koa) model:  5.62E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.6E-005 
       Mackay model           :  7.96E-005 
       Octanol/air (Koa) model:  4.5E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.9894 E-12 cm3/molecule-sec
      Half-Life =     0.165 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.975 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      5.78E-005 (Junge-Pankow, Mackay avg)
      4.5E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  682.8  L/kg (MCI method)
      Log Koc:  2.834       (MCI method)
      Koc    :  253.2  L/kg (Kow method)
      Log Koc:  2.403       (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 = 1.165 (BCF = 14.61 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0480 days (HL = 0.08954 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.078 (BCF = 11.96)
   Log BAF Arnot-Gobas method (upper trophic) = 1.078 (BAF = 11.96)
       log Kow used: 2.27 (expkow database)

 Volatilization from Water:
    Henry LC:  1.99E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      378.3  hours   (15.76 days)
    Half-Life from Model Lake :       4235  hours   (176.4 days)

 Removal In Wastewater Treatment:
    Total removal:               2.70  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.49  percent
    Total to Air:                0.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.336           3.37         1000       
   Water     24.9            360          1000       
   Soil      74.1            720          1000       
   Sediment  0.636           3.24e+003    0          
     Persistence Time: 461 hr