CAS Number: 4510-34-3
SMILES : c1ccc(cc1)C=CCO
CHEM   : (Z)-3-phenylprop-2-en-1-ol
MOL FOR: C9 H10 O1 
MOL WT : 134.18
------------------------------ 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) =  1.84
    Log Kow (Exper. database match) =  1.95
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  248.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  15.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00268  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.358  (Modified Grain method)
    MP  (exp database):  33 deg C
    BP  (exp database):  250 deg C
    VP  (exp database):  2.40E-02 mm Hg (3.20E+000 Pa) at 25 deg C
    Subcooled liquid VP: 0.0288 mm Hg (25 deg C, exp database VP )
                       : 3.84 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6188
       log Kow used: 1.95 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7481.5 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 :   1.58E-007  atm-m3/mole  (1.60E-002 Pa-m3/mole)
   Group Method:   8.68E-008  atm-m3/mole  (8.79E-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:  7.646E-008 atm-m3/mole  (7.748E-003 Pa-m3/mole)
      VP:   0.00268 mm Hg (source: MPBPVP)
      WS:   6.19E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.95  (exp database)
  Log Kaw used:  -5.190  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.140
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9705
   Biowin2 (Non-Linear Model)     :   0.9824
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0846  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7885  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5770
   Biowin6 (MITI Non-Linear Model):   0.6777
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5888
 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):  3.84 Pa (0.0288 mm Hg)
  Log Koa (Koawin est  ): 7.140
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.81E-007 
       Octanol/air (Koa) model:  3.39E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.82E-005 
       Mackay model           :  6.25E-005 
       Octanol/air (Koa) model:  0.000271 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.6422 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  69.2422 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.082 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.854 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      4.54E-005 (Junge-Pankow, Mackay avg)
      0.000271 (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    :  39.11  L/kg (Kow method)
      Log Koc:  1.592       (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 = 0.698 (BCF = 4.989 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8205 days (HL = 0.1512 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.911 (BCF = 8.154)
   Log BAF Arnot-Gobas method (upper trophic) = 0.911 (BAF = 8.154)
       log Kow used: 1.95 (expkow database)
 
 Volatilization from Water:
    Henry LC:  8.68E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       7815  hours   (325.6 days)
    Half-Life from Model Lake : 8.535E+004  hours   (3556 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.21  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.11  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.197           2.05         1000       
   Water     28.3            360          1000       
   Soil      71.3            720          1000       
   Sediment  0.134           3.24e+003    0          
     Persistence Time: 454 hr