CAS Number: 542-92-7
SMILES : C(=CC=C1)C1
CHEM   : 1,3-Cyclopentadiene
MOL FOR: C5 H6 
MOL WT : 66.10
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  2.25
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  69.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -91.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  427  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.7E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -85 deg C
    BP  (exp database):  41 deg C
    VP  (exp database):  4.35E+02 mm Hg (5.80E+004 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  470.6
       log Kow used: 2.25 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1800 mg/L (25 deg C)
        Exper. Ref:  AMOORE,JE & HAUTALA,E (1983)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1906.3 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.36E-002  atm-m3/mole  (6.44E+003 Pa-m3/mole)
   Group Method:   7.92E-003  atm-m3/mole  (8.02E+002 Pa-m3/mole)
   Exper Database: 2.10E-02  atm-m3/mole  (2.13E+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:  7.892E-002 atm-m3/mole  (7.996E+003 Pa-m3/mole)
      VP:   427 mm Hg (source: MPBPVP)
      WS:   471 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.25  (KowWin est)
  Log Kaw used:  -0.066  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.316
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7161
   Biowin2 (Non-Linear Model)     :   0.8880
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0531  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7524  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5600
   Biowin6 (MITI Non-Linear Model):   0.7247
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4220
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5520
     BioHC Half-Life (days)     :   3.5643
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.8E+004 Pa (435 mm Hg)
  Log Koa (Koawin est  ): 2.316
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.17E-011 
       Octanol/air (Koa) model:  5.08E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.87E-009 
       Mackay model           :  4.14E-009 
       Octanol/air (Koa) model:  4.07E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 142.5978 E-12 cm3/molecule-sec
      Half-Life =     0.075 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.900 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    32.000000 E-17 cm3/molecule-sec
      Half-Life =     0.036 Days (at 7E11 mol/cm3)
      Half-Life =     51.570 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      3E-009 (Junge-Pankow, Mackay avg)
      4.07E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  79.99  L/kg (MCI method)
      Log Koc:  1.903       (MCI method)
      Koc    :  89.61  L/kg (Kow method)
      Log Koc:  1.952       (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 v3.01):
   Log BCF from regression-based method = 1.155 (BCF = 14.27 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5220 days (HL = 0.3006 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.217 (BCF = 16.48)
   Log BAF Arnot-Gobas method (upper trophic) = 1.217 (BAF = 16.48)
       log Kow used: 2.25 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.021 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.8523  hours   (51.14 min)
    Half-Life from Model Lake :      77.47  hours   (3.228 days)
 
 Removal In Wastewater Treatment:
    Total removal:              89.14  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.86  percent
    Total to Air:               88.25  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.937           0.582        1000       
   Water     86.1            360          1000       
   Soil      12.6            720          1000       
   Sediment  0.437           3.24e+003    0          
     Persistence Time: 72 hr