CAS Number: 121734-22-3
SMILES : CCCCCC(=Cc1ccccc1)C=O
CHEM   : (2Z)-2-(cyclohexylmethylidene)heptanal
MOL FOR: C14 H18 O1 
MOL WT : 202.30
------------------------------ 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) =  4.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  304.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000452  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0603  (Modified Grain method)
    MP  (exp database):  80 deg C
    Subcooled liquid VP: 0.00151 mm Hg (25 deg C, Mod-Grain method)
                       : 0.202 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.545
       log Kow used: 4.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.526 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Aldehydes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.80E-006  atm-m3/mole  (7.90E-001 Pa-m3/mole)
   Group Method:   1.02E-005  atm-m3/mole  (1.03E+000 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:  1.408E-005 atm-m3/mole  (1.427E+000 Pa-m3/mole)
      VP:   0.000452 mm Hg (source: MPBPVP)
      WS:   8.54 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.33  (KowWin est)
  Log Kaw used:  -3.496  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.826
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1724
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0948  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0265  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7671
   Biowin6 (MITI Non-Linear Model):   0.8576
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3328
 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):  0.201 Pa (0.00151 mm Hg)
  Log Koa (Koawin est  ): 7.826
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.49E-005 
       Octanol/air (Koa) model:  1.64E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000538 
       Mackay model           :  0.00119 
       Octanol/air (Koa) model:  0.00131 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  53.5482 E-12 cm3/molecule-sec
      Half-Life =     0.200 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.397 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.184000 E-17 cm3/molecule-sec
      Half-Life =     0.525 Days (at 7E11 mol/cm3)
      Half-Life =     12.593 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000864 (Junge-Pankow, Mackay avg)
      0.00131 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  682.1  L/kg (MCI method)
      Log Koc:  2.834       (MCI method)
      Koc    :  1233  L/kg (Kow method)
      Log Koc:  3.091       (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 = 2.524 (BCF = 334 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2971 days (HL = 1.982 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.781 (BCF = 603.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.782 (BAF = 605.9)
       log Kow used: 4.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.02E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      83.09  hours   (3.462 days)
    Half-Life from Model Lake :       1026  hours   (42.74 days)
 
 Removal In Wastewater Treatment:
    Total removal:              47.10  percent
    Total biodegradation:        0.45  percent
    Total sludge adsorption:    46.35  percent
    Total to Air:                0.29  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.361           3.47         1000       
   Water     24.5            360          1000       
   Soil      74.5            720          1000       
   Sediment  0.625           3.24e+003    0          
     Persistence Time: 456 hr