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CAS Number: 68186-14-1

SMILES : C32(C)C(C(C)(C(=O)OC)CCC3)CC=C1C2CCC(C(C)C)=C1

CHEM : Resin acids and Rosin acids, Me esters

MOL FOR: C21 H32 O2

MOL WT : 316.49

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 6.75

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 361.88 (Adapted Stein & Brown method)

Melting Pt (deg C): 119.97 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.65E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00887 (Modified Grain method)

MP (exp database): < 25 deg C

BP (exp database): 362.5 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.017

log Kow used: 6.75 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.034299 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.16E-003 atm-m3/mole (2.19E+002 Pa-m3/mole)

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: 1.629E-003 atm-m3/mole (1.651E+002 Pa-m3/mole)

VP: 6.65E-005 mm Hg (source: MPBPVP)

WS: 0.017 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 6.75 (KowWin est)

Log Kaw used: -1.054 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.804

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4032

Biowin2 (Non-Linear Model) : 0.2989

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2157 (months )

Biowin4 (Primary Survey Model) : 3.3132 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3566

Biowin6 (MITI Non-Linear Model): 0.1041

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0125

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): 0.00887 Pa (6.65E-005 mm Hg)

Log Koa (Koawin est ): 7.804

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.000338

Octanol/air (Koa) model: 1.56E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0121

Mackay model : 0.0264

Octanol/air (Koa) model: 0.00125

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 277.3217 E-12 cm3/molecule-sec

Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 27.770 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 1000.000000 E-17 cm3/molecule-sec

Half-Life = 0.001 Days (at 7E11 mol/cm3)

Half-Life = 1.650 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.0192 (Junge-Pankow, Mackay avg)

0.00125 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8.833E+004 L/kg (MCI method)

Log Koc: 4.946 (MCI method)

Koc : 3.919E+004 L/kg (Kow method)

Log Koc: 4.593 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.212E-002 L/mol-sec

Kb Half-Life at pH 8: 1.813 years

Kb Half-Life at pH 7: 18.126 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 4.119 (BCF = 1.314e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8500 days (HL = 7.079 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.102 (BCF = 1265)

Log BAF Arnot-Gobas method (upper trophic) = 4.159 (BAF = 1.442e+004)

log Kow used: 6.75 (estimated)

Volatilization from Water:

Henry LC: 0.00216 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.298 hours

Half-Life from Model Lake : 174.2 hours (7.26 days)

Removal In Wastewater Treatment:

Total removal: 93.74 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.67 percent

Total to Air: 0.30 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.000979 0.0267 1000

Water 5 1.44e+003 1000

Soil 70.1 2.88e+003 1000

Sediment 24.9 1.3e+004 0

Persistence Time: 1.94e+003 hr

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