CAS Num: 009007-13-0
SMILES : O=C(O[Ca]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, calcium salts
MOL FOR: C40 H58 O4 Ca1 
MOL WT : 642.98
------------------------------ 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) =  11.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  686.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  299.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.21E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.28E-014  (Modified Grain method)
    Subcooled liquid VP: 3.75E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 5E-011 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.633e-008
       log Kow used: 11.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.2949e-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:  1.663E-008 atm-m3/mole  (1.685E-003 Pa-m3/mole)
      VP:   3.21E-016 mm Hg (source: MPBPVP)
      WS:   1.63E-008 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)         :  -0.2943
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9298  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.3063  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.7171
   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):  5E-011 Pa (3.75E-013 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6E+004 
       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    :  5.697E+006  L/kg (Kow method)
      Log Koc:  6.756       (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 = 1.983 (BCF = 96.05 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 3.5895 days (HL = 3886 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.619 (BCF = 4.158)
   Log BAF Arnot-Gobas method (upper trophic) = 4.209 (BAF = 1.62e+004)
       log Kow used: 11.37 (estimated)

 Volatilization from Water:
    Henry LC:  1.66E-008 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 8.927E+004  hours   (3720 days)
    Half-Life from Model Lake : 9.741E+005  hours   (4.059E+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       0.000123        0.0134       1000       
   Water     5.01            4.32e+003    1000       
   Soil      79.6            8.64e+003    1000       
   Sediment  15.4            3.89e+004    0          
     Persistence Time: 5.22e+003 hr