CAS Number: 53339-59-6
SMILES : CC(CCC=C(C)C)CCN
CHEM   : 
MOL FOR: C10 H21 N1 
MOL WT : 155.29
------------------------------ 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) =  3.55
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  207.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.249  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  33.3  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  681.9
       log Kow used: 3.55 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1087.3 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.01E-004  atm-m3/mole  (1.02E+001 Pa-m3/mole)
   Group Method:   3.79E-005  atm-m3/mole  (3.84E+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:  7.461E-005 atm-m3/mole  (7.560E+000 Pa-m3/mole)
      VP:   0.249 mm Hg (source: MPBPVP)
      WS:   682 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.55  (KowWin est)
  Log Kaw used:  -2.384  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.934
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8274
   Biowin2 (Non-Linear Model)     :   0.8714
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8804  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6670  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4379
   Biowin6 (MITI Non-Linear Model):   0.3689
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6392
 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):  30.5 Pa (0.229 mm Hg)
  Log Koa (Koawin est  ): 5.934
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.83E-008 
       Octanol/air (Koa) model:  2.11E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.55E-006 
       Mackay model           :  7.86E-006 
       Octanol/air (Koa) model:  1.69E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 125.9333 E-12 cm3/molecule-sec
      Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.019 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      5.7E-006 (Junge-Pankow, Mackay avg)
      1.69E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1200  L/kg (MCI method)
      Log Koc:  3.079       (MCI method)
      Koc    :  736.1  L/kg (Kow method)
      Log Koc:  2.867       (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 = 2.009 (BCF = 102 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3019 days (HL = 2.004 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.413 (BCF = 259.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.414 (BAF = 259.3)
       log Kow used: 3.55 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.79E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      20.52  hours
    Half-Life from Model Lake :      328.4  hours   (13.68 days)
 
 Removal In Wastewater Treatment:
    Total removal:              15.83  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    13.89  percent
    Total to Air:                1.75  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0576          0.487        1000       
   Water     23              360          1000       
   Soil      76              720          1000       
   Sediment  0.951           3.24e+003    0          
     Persistence Time: 448 hr