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CAS Number: 32832-01-2

SMILES : O=C(OC(CCC(C1=CCC2C(C(C(C3)C(CCCC(C)C)C)(CC4)C)C3)(C24)C)C1)c(c(cc(c5

)CL)CL)c5

CHEM : Cholest-5-en-3-ol (3 )-, 2,4-dichlorobenzoate

MOL FOR: C34 H48 CL2 O2

MOL WT : 559.67

------------------------------ 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) = 12.49

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

Boiling Pt (deg C): 552.38 (Adapted Stein & Brown method)

Melting Pt (deg C): 237.07 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.5E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 8.67E-010 (Modified Grain method)

Subcooled liquid VP: 1.27E-009 mm Hg (25 deg C, Mod-Grain method)

: 1.69E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6.379e-009

log Kow used: 12.49 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.5967e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 1.18E-003 atm-m3/mole (1.20E+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: 7.504E-004 atm-m3/mole (7.603E+001 Pa-m3/mole)

VP: 6.5E-012 mm Hg (source: MPBPVP)

WS: 6.38E-009 mg/L (source: WSKOWWIN)

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

Log Kow used: 12.49 (KowWin est)

Log Kaw used: -1.317 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.807

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0774

Biowin2 (Non-Linear Model) : 0.0002

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.2652 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.6317 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.1617

Biowin6 (MITI Non-Linear Model): 0.0003

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.2393

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): 1.69E-007 Pa (1.27E-009 mm Hg)

Log Koa (Koawin est ): 13.807

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

Mackay model : 17.7

Octanol/air (Koa) model: 15.7

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.998

Mackay model : 0.999

Octanol/air (Koa) model: 0.999

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 124.4720 E-12 cm3/molecule-sec

Half-Life = 0.086 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.031 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):

0.999 (Junge-Pankow, Mackay avg)

0.999 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.001E+008 L/kg (MCI method)

Log Koc: 8.699 (MCI method)

Koc : 5.863E+007 L/kg (Kow method)

Log Koc: 7.768 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.249E-002 L/mol-sec

Kb Half-Life at pH 8: 128.376 days

Kb Half-Life at pH 7: 3.515 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.435 (BCF = 27.22 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.3459 days (HL = 2218 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.051 (BCF = 1.125)

Log BAF Arnot-Gobas method (upper trophic) = 3.053 (BAF = 1130)

log Kow used: 12.49 (estimated)

Volatilization from Water:

Henry LC: 0.00118 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.588 hours

Half-Life from Model Lake : 237.5 hours (9.896 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 0.0125 1.33 1000

Water 6 4.32e+003 1000

Soil 91.5 8.64e+003 1000

Sediment 2.51 3.89e+004 0

Persistence Time: 4.75e+003 hr

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