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CAS Number: 171499-81-3

SMILES : CC1=CC(OC1(=O))CC(C(C)C2CCC3C4(CCC(C(C4CCC3(C25CC(=O)OC5)C)(C)C)O)C)O

C(=O)C

CHEM :

MOL FOR: C32 H48 O7

MOL WT : 544.73

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 5.45

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

Boiling Pt (deg C): 644.33 (Adapted Stein & Brown method)

Melting Pt (deg C): 280.02 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.77E-018 (Modified Grain method)

VP (Pa, 25 deg C) : 1.17E-015 (Modified Grain method)

Subcooled liquid VP: 5.77E-015 mm Hg (25 deg C, Mod-Grain method)

: 7.69E-013 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.02667

log Kow used: 5.45 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00139 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

Methacrylates

Vinyl/Allyl Esters

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

Bond Method : 3.99E-013 atm-m3/mole (4.05E-008 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: 2.357E-016 atm-m3/mole (2.388E-011 Pa-m3/mole)

VP: 8.77E-018 mm Hg (source: MPBPVP)

WS: 0.0267 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.45 (KowWin est)

Log Kaw used: -10.787 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 16.237

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4338

Biowin2 (Non-Linear Model) : 0.8503

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.7275 (recalcitrant)

Biowin4 (Primary Survey Model) : 3.2644 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7315

Biowin6 (MITI Non-Linear Model): 0.1649

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.5516

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): 7.69E-013 Pa (5.77E-015 mm Hg)

Log Koa (Koawin est ): 16.237

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

Mackay model : 3.9E+006

Octanol/air (Koa) model: 4.24E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 74.0426 E-12 cm3/molecule-sec

Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.733 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec

Half-Life = 0.155 Days (at 7E11 mol/cm3)

Half-Life = 3.720 Hrs

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.417E+006 L/kg (MCI method)

Log Koc: 6.151 (MCI method)

Koc : 2495 L/kg (Kow method)

Log Koc: 3.397 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.276E-002 L/mol-sec

Kb Half-Life at pH 8: 1.722 years

Kb Half-Life at pH 7: 17.218 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.260 (BCF = 1820 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6450 days (HL = 0.02265 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.082 (BCF = 12.08)

Log BAF Arnot-Gobas method (upper trophic) = 1.082 (BAF = 12.08)

log Kow used: 5.45 (estimated)

Volatilization from Water:

Henry LC: 3.99E-013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.425E+009 hours (1.427E+008 days)

Half-Life from Model Lake : 3.736E+010 hours (1.557E+009 days)

Removal In Wastewater Treatment:

Total removal: 87.62 percent

Total biodegradation: 0.74 percent

Total sludge adsorption: 86.88 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 0.00756 1.79 1000

Water 0.964 4.32e+003 1000

Soil 42.7 8.64e+003 1000

Sediment 56.4 3.89e+004 0

Persistence Time: 1.03e+004 hr

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