CAS Num: 000051-67-2
SMILES : NCCc1ccc(O)cc1
CHEM   : Tyramine
MOL FOR: C8 H11 N1 O1 
MOL WT : 137.18
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  258.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000247  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0329  (Modified Grain method)
    MP  (exp database):  164.5 deg C
    BP  (exp database):  205-207 @ 25 mm Hg deg C
    Subcooled liquid VP: 0.00673 mm Hg (25 deg C, Mod-Grain method)
                       : 0.898 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.169e+005
       log Kow used: 0.86 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.04e+004 mg/L (15 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.2548e+005 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Phenols
       Phenol Amines 

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.45E-011  atm-m3/mole  (8.56E-006 Pa-m3/mole)
   Group Method:   2.23E-011  atm-m3/mole  (2.26E-006 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:  7.227E-011 atm-m3/mole  (7.323E-006 Pa-m3/mole)
      VP:   0.000247 mm Hg (source: MPBPVP)
      WS:   6.17E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.86  (KowWin est)
  Log Kaw used:  -8.462  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.322
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0065
   Biowin2 (Non-Linear Model)     :   0.9748
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9020  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6643  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4281
   Biowin6 (MITI Non-Linear Model):   0.3905
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6166
 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):  0.897 Pa (0.00673 mm Hg)
  Log Koa (Koawin est  ): 9.322
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.34E-006 
       Octanol/air (Koa) model:  0.000515 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000121 
       Mackay model           :  0.000267 
       Octanol/air (Koa) model:  0.0396 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.5760 E-12 cm3/molecule-sec
      Half-Life =     0.145 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.744 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000194 (Junge-Pankow, Mackay avg)
      0.0396 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  639.9  L/kg (MCI method)
      Log Koc:  2.806       (MCI method)
      Koc    :  35.14  L/kg (Kow method)
      Log Koc:  1.546       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1878 days (HL = 0.0649 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.158 (BCF = 1.438)
   Log BAF Arnot-Gobas method (upper trophic) = 0.158 (BAF = 1.438)
       log Kow used: 0.86 (estimated)

 Volatilization from Water:
    Henry LC:  2.23E-011 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.075E+007  hours   (1.281E+006 days)
    Half-Life from Model Lake : 3.355E+008  hours   (1.398E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  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       0.000391        3.49         1000       
   Water     16.5            360          1000       
   Soil      83.1            720          1000       
   Sediment  0.399           3.24e+003    0          
     Persistence Time: 778 hr