CAS Number: 9010-69-9
SMILES : O=C(O[Zn]OC(=O)(C4(C)CCCC5(C4CC=C6C5CCC(C(C)C)=C6)C))C1(C)CCCC2(C1CC=
         C3C2CCC(C(C)C)=C3)C
CHEM   : Resin acids and Rosin acids, zinc salts
MOL FOR: C40 H58 O4 Zn1 
MOL WT : 668.30
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  11.47
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  701.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  306.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.09E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.45E-014  (Modified Grain method)
    Subcooled liquid VP: 1.55E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 2.06E-011 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  9.121e-009
       log Kow used: 11.47 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3852e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.051E-008 atm-m3/mole  (1.065E-003 Pa-m3/mole)
      VP:   1.09E-016 mm Hg (source: MPBPVP)
      WS:   9.12E-009 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3063
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.8738  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.2698  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.7924
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -3.0456
 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):  2.07E-011 Pa (1.55E-013 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.45E+005 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  not available
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 554.2081 E-12 cm3/molecule-sec
      Half-Life =     0.019 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.896 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  2000.000000 E-17 cm3/molecule-sec
      Half-Life =     0.001 Days (at 7E11 mol/cm3)
      Half-Life =      0.825 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      not available (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.891E+008  L/kg (MCI method)
      Log Koc:  8.461       (MCI method)
      Koc    :  6.471E+006  L/kg (Kow method)
      Log Koc:  6.811       (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 = 1.934 (BCF = 85.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 3.5553 days (HL = 3592 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.540 (BCF = 3.466)
   Log BAF Arnot-Gobas method (upper trophic) = 4.105 (BAF = 1.274e+004)
       log Kow used: 11.47 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.05E-008 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:  1.44E+005  hours   (6001 days)
    Half-Life from Model Lake : 1.571E+006  hours   (6.548E+004 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       0.000126        0.0134       1000       
   Water     5.24            4.32e+003    1000       
   Soil      81.8            8.64e+003    1000       
   Sediment  12.9            3.89e+004    0          
     Persistence Time: 5.08e+003 hr