CAS Number: 105-16-8
SMILES : O=C(OCCN(CC)CC)C(=C)C
CHEM   : 2-Propenoic acid, 2-methyl-, 2-(diethylamino)ethyl ester
MOL FOR: C10 H19 N1 O2 
MOL WT : 185.27
------------------------------ 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) =  1.95
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  222.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.114  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  15.2  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  80 @ 10 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.132e+004
       log Kow used: 1.95 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12639 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Methacrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.68E-007  atm-m3/mole  (1.70E-002 Pa-m3/mole)
   Group Method:   2.08E-007  atm-m3/mole  (2.11E-002 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:  2.455E-006 atm-m3/mole  (2.488E-001 Pa-m3/mole)
      VP:   0.114 mm Hg (source: MPBPVP)
      WS:   1.13E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.95  (KowWin est)
  Log Kaw used:  -5.163  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.113
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6283
   Biowin2 (Non-Linear Model)     :   0.9033
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6752  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5214  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6311
   Biowin6 (MITI Non-Linear Model):   0.6495
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3487
 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):  14.3 Pa (0.107 mm Hg)
  Log Koa (Koawin est  ): 7.113
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.1E-007 
       Octanol/air (Koa) model:  3.18E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.6E-006 
       Mackay model           :  1.68E-005 
       Octanol/air (Koa) model:  0.000255 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 114.3551 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.122 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.22E-005 (Junge-Pankow, Mackay avg)
      0.000255 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  70.98  L/kg (MCI method)
      Log Koc:  1.851       (MCI method)
      Koc    :  74.6  L/kg (Kow method)
      Log Koc:  1.873       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.259E-003  L/mol-sec
  Kb Half-Life at pH 8:       5.157  years  
  Kb Half-Life at pH 7:      51.569  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.957 (BCF = 9.049 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9252 days (HL = 0.01188 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.450 (BCF = 2.82)
   Log BAF Arnot-Gobas method (upper trophic) = 0.450 (BAF = 2.82)
       log Kow used: 1.95 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.08E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       3833  hours   (159.7 days)
    Half-Life from Model Lake : 4.193E+004  hours   (1747 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.21  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.11  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.109           2.05         1000       
   Water     26.5            900          1000       
   Soil      73.3            1.8e+003     1000       
   Sediment  0.14            8.1e+003     0          
     Persistence Time: 886 hr