CAS Num: 000122-97-4
SMILES : OCCCc(cccc1)c1
CHEM   : Benzenepropanol
MOL FOR: C9 H12 O1 
MOL WT : 136.20
------------------------------ 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) =  2.06
    Log Kow (Exper. database match) =  1.88
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  243.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00848  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.13  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <-18 deg C
    BP  (exp database):  235 deg C
    VP  (exp database):  1.99E-02 mm Hg (2.65E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6969
       log Kow used: 1.88 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5680 mg/L (25 deg C)
        Exper. Ref:  VALVANI,SC ET AL. (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3432.7 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.83E-007  atm-m3/mole  (3.88E-002 Pa-m3/mole)
   Group Method:   1.44E-007  atm-m3/mole  (1.46E-002 Pa-m3/mole)
   Exper Database: 2.03E-07  atm-m3/mole  (2.06E-002 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:  2.181E-007 atm-m3/mole  (2.210E-002 Pa-m3/mole)
      VP:   0.00848 mm Hg (source: MPBPVP)
      WS:   6.97E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.88  (exp database)
  Log Kaw used:  -5.081  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.961
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0242
   Biowin2 (Non-Linear Model)     :   0.9897
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0053  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7171  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5523
   Biowin6 (MITI Non-Linear Model):   0.7177
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6401
 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):  2.65 Pa (0.0199 mm Hg)
  Log Koa (Koawin est  ): 6.961
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.13E-006 
       Octanol/air (Koa) model:  2.24E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.08E-005 
       Mackay model           :  9.04E-005 
       Octanol/air (Koa) model:  0.000179 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.5678 E-12 cm3/molecule-sec
      Half-Life =     0.925 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.096 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.56E-005 (Junge-Pankow, Mackay avg)
      0.000179 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  71.26  L/kg (MCI method)
      Log Koc:  1.853       (MCI method)
      Koc    :  35.77  L/kg (Kow method)
      Log Koc:  1.554       (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 = 0.652 (BCF = 4.486 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1792 days (HL = 0.06619 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.761 (BCF = 5.769)
   Log BAF Arnot-Gobas method (upper trophic) = 0.761 (BAF = 5.769)
       log Kow used: 1.88 (expkow database)

 Volatilization from Water:
    Henry LC:  2.03E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       3367  hours   (140.3 days)
    Half-Life from Model Lake : 3.683E+004  hours   (1535 days)

 Removal In Wastewater Treatment:
    Total removal:               2.16  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.05  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.23            22.2         1000       
   Water     26.2            360          1000       
   Soil      72.4            720          1000       
   Sediment  0.124           3.24e+003    0          
     Persistence Time: 507 hr