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CAS Number: 19141-40-3
SMILES : CC(CO)c1ccccc1
CHEM   : (2R)-2-phenylpropan-1-ol
MOL FOR: C9 H12 O1 
MOL WT : 136.20
------------------------------ 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) =  1.98
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  232.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  6.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0101  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.35  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -13 deg C
    VP  (exp database):  1.90E-02 mm Hg (2.53E+000 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5677
       log Kow used: 1.98 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5752.8 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:   1.41E-007  atm-m3/mole  (1.43E-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:  3.188E-007 atm-m3/mole  (3.231E-002 Pa-m3/mole)
      VP:   0.0101 mm Hg (source: MPBPVP)
      WS:   5.68E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.98  (KowWin est)
  Log Kaw used:  -4.805  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.785
      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)    :   0.5493
   Biowin6 (MITI Non-Linear Model):   0.7130
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5749
 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):  2.53 Pa (0.019 mm Hg)
  Log Koa (Koawin est  ): 6.785
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.18E-006 
       Octanol/air (Koa) model:  1.5E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.28E-005 
       Mackay model           :  9.47E-005 
       Octanol/air (Koa) model:  0.00012 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.3403 E-12 cm3/molecule-sec
      Half-Life =     0.943 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.318 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.87E-005 (Junge-Pankow, Mackay avg)
      0.00012 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  64.02  L/kg (MCI method)
      Log Koc:  1.806       (MCI method)
      Koc    :  40.63  L/kg (Kow method)
      Log Koc:  1.609       (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 = 0.721 (BCF = 5.255 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0527 days (HL = 0.08858 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.877 (BCF = 7.528)
   Log BAF Arnot-Gobas method (upper trophic) = 0.877 (BAF = 7.528)
       log Kow used: 1.98 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.41E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       4847  hours   (202 days)
    Half-Life from Model Lake : 5.298E+004  hours   (2207 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.24  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.13  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       1.09            22.6         1000       
   Water     25.9            360          1000       
   Soil      72.9            720          1000       
   Sediment  0.115           3.24e+003    0          
     Persistence Time: 526 hr