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CAS Number: 9010-69-9



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

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