CAS Number: 147159-49-7
SMILES : CCC=CCCCCCCC=O
CHEM   : (Z)-undec-8-enal
MOL FOR: C11 H20 O1 
MOL WT : 168.28
------------------------------ 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) =  4.04
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  240.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0454  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  6.05  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  22.27
       log Kow used: 4.04 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  59.147 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.64E-004  atm-m3/mole  (7.74E+001 Pa-m3/mole)
   Group Method:   3.54E-004  atm-m3/mole  (3.58E+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:  4.514E-004 atm-m3/mole  (4.574E+001 Pa-m3/mole)
      VP:   0.0454 mm Hg (source: MPBPVP)
      WS:   22.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.04  (KowWin est)
  Log Kaw used:  -1.505  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.545
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0605
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1480  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0707  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9816
   Biowin6 (MITI Non-Linear Model):   0.9705
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5962
 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):  5.8 Pa (0.0435 mm Hg)
  Log Koa (Koawin est  ): 5.545
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.17E-007 
       Octanol/air (Koa) model:  8.61E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.87E-005 
       Mackay model           :  4.14E-005 
       Octanol/air (Koa) model:  6.89E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  88.9912 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  96.5912 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.442 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.329 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      3E-005 (Junge-Pankow, Mackay avg)
      6.89E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  119.7  L/kg (MCI method)
      Log Koc:  2.078       (MCI method)
      Koc    :  852  L/kg (Kow method)
      Log Koc:  2.930       (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 = 2.332 (BCF = 214.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1655 days (HL = 1.464 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.603 (BCF = 400.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.603 (BAF = 401.1)
       log Kow used: 4.04 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000354 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.469  hours
    Half-Life from Model Lake :      146.6  hours   (6.109 days)
 
 Removal In Wastewater Treatment:
    Total removal:              39.80  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    29.97  percent
    Total to Air:                9.53  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.318           1.22         1000       
   Water     26.4            360          1000       
   Soil      73.1            720          1000       
   Sediment  0.174           3.24e+003    0          
     Persistence Time: 302 hr