CAS Number: 61790-85-0
SMILES : CCCCCCCCC=CCCCCCCCCN(CCOCCOCCOCCOCCO)CCCNCCCCCCCCC=CCCCCCCCC
CHEM   : Amines, N-tallow alkyltrimethylenedi-, ethoxylated
MOL FOR: C49 H98 N2 O5 
MOL WT : 795.34
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  14.21
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  802.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.99E-024  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.07E-021  (Modified Grain method)
    Subcooled liquid VP: 4.1E-020 mm Hg (25 deg C, Mod-Grain method)
                       : 5.46E-018 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.993e-011
       log Kow used: 14.21 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.9534e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.86E-016  atm-m3/mole  (4.92E-011 Pa-m3/mole)
   Group Method:   2.03E-020  atm-m3/mole  (2.06E-015 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:  1.395E-013 atm-m3/mole  (1.414E-008 Pa-m3/mole)
      VP:   7.99E-024 mm Hg (source: MPBPVP)
      WS:   5.99E-011 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  14.21  (KowWin est)
  Log Kaw used:  -13.702  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  27.912
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.6964
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9332  (months      )
   Biowin4 (Primary Survey Model) :   3.0842  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6119
   Biowin6 (MITI Non-Linear Model):   0.0861
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9289
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.47E-018 Pa (4.1E-020 mm Hg)
  Log Koa (Koawin est  ): 27.912
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.49E+011 
       Octanol/air (Koa) model:  2E+015 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 414.8888 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 430.0888 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   18.562 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   17.906 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    26.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    40.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    63.471 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    41.256 Min (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.77E+009  L/kg (MCI method)
      Log Koc:  9.248       (MCI method)
      Koc    :  7.986E+007  L/kg (Kow method)
      Log Koc:  7.902       (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 = 0.590 (BCF = 3.892 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.3010 days (HL = 200 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8947)
   Log BAF Arnot-Gobas method (upper trophic) = 0.807 (BAF = 6.413)
       log Kow used: 14.21 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.03E-020 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 8.134E+016  hours   (3.389E+015 days)
    Half-Life from Model Lake : 8.873E+017  hours   (3.697E+016 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.0112          0.39         1000       
   Water     13.8            1.44e+003    1000       
   Soil      86              2.88e+003    1000       
   Sediment  0.241           1.3e+004     0          
     Persistence Time: 1.64e+003 hr