CAS Number: 629-90-3
SMILES : O=CCCCCCCCCCCCCCCCC
CHEM   : heptadecanal
MOL FOR: C17 H34 O1 
MOL WT : 254.46
------------------------------ 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) =  7.20
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  328.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  64.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000345  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.046  (Modified Grain method)
    MP  (exp database):  36 deg C
    Subcooled liquid VP: 0.000433 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0578 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.01584
       log Kow used: 7.20 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.024242 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.76E-003  atm-m3/mole  (4.82E+002 Pa-m3/mole)
   Group Method:   1.07E-002  atm-m3/mole  (1.08E+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:  7.292E-003 atm-m3/mole  (7.389E+002 Pa-m3/mole)
      VP:   0.000345 mm Hg (source: MPBPVP)
      WS:   0.0158 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.20  (KowWin est)
  Log Kaw used:  -0.711  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.911
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0195
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9575  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9463  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1082
   Biowin6 (MITI Non-Linear Model):   0.9877
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9512
 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):  0.0577 Pa (0.000433 mm Hg)
  Log Koa (Koawin est  ): 7.911
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.2E-005 
       Octanol/air (Koa) model:  2E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00187 
       Mackay model           :  0.00414 
       Octanol/air (Koa) model:  0.0016 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  44.3746 E-12 cm3/molecule-sec
      Half-Life =     0.241 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.892 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00301 (Junge-Pankow, Mackay avg)
      0.0016 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4386  L/kg (MCI method)
      Log Koc:  3.642       (MCI method)
      Koc    :  4.768E+004  L/kg (Kow method)
      Log Koc:  4.678       (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 = 3.429 (BCF = 2687 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9120 days (HL = 8.165 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.864 (BCF = 731.3)
   Log BAF Arnot-Gobas method (upper trophic) = 4.367 (BAF = 2.327e+004)
       log Kow used: 7.20 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0107 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.715  hours
    Half-Life from Model Lake :      152.5  hours   (6.353 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.99  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.72  percent
    Total to Air:                0.50  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.26            5.78         1000       
   Water     23.6            360          1000       
   Soil      73.4            720          1000       
   Sediment  1.79            3.24e+003    0          
     Persistence Time: 330 hr