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CAS Number: 1908-11-8

SMILES : O=C(OC(CCC(C1=CCC2C(C(C(C3)C(CCCC(C)C)C)(CC4)C)C3)(C24)C)C1)CCCCCCCCC

CC

CHEM : Cholest-5-en-3-ol (3.beta.)-, dodecanoate

MOL FOR: C39 H68 O2

MOL WT : 568.98

------------------------------ 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) = 14.65

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

Boiling Pt (deg C): 558.48 (Adapted Stein & Brown method)

Melting Pt (deg C): 239.91 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.18E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 5.58E-010 (Modified Grain method)

Subcooled liquid VP: 8.81E-010 mm Hg (25 deg C, Mod-Grain method)

: 1.17E-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): 7.827e-011

log Kow used: 14.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.6898e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 1.85E-001 atm-m3/mole (1.88E+004 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: 3.998E-002 atm-m3/mole (4.051E+003 Pa-m3/mole)

VP: 4.18E-012 mm Hg (source: MPBPVP)

WS: 7.83E-011 mg/L (source: WSKOWWIN)

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

Log Kow used: 14.65 (KowWin est)

Log Kaw used: 0.879 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.771

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3914

Biowin2 (Non-Linear Model) : 0.0695

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.9561 (months )

Biowin4 (Primary Survey Model) : 3.2180 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2682

Biowin6 (MITI Non-Linear Model): 0.0202

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.2859

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): 1.17E-007 Pa (8.81E-010 mm Hg)

Log Koa (Koawin est ): 13.771

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

Mackay model : 25.5

Octanol/air (Koa) model: 14.5

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 0.999

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 136.5690 E-12 cm3/molecule-sec

Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.940 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 : 3.672E+009 L/kg (MCI method)

Log Koc: 9.565 (MCI method)

Koc : 9.18E+008 L/kg (Kow method)

Log Koc: 8.963 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.477E-002 L/mol-sec

Kb Half-Life at pH 8: 1.487 years

Kb Half-Life at pH 7: 14.869 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.3820 days (HL = 2410 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8946)

Log BAF Arnot-Gobas method (upper trophic) = 0.940 (BAF = 8.712)

log Kow used: 14.66 (estimated)

Volatilization from Water:

Henry LC: 0.185 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.442 hours

Half-Life from Model Lake : 226.6 hours (9.444 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 0.0334 1.25 1000

Water 13.5 1.44e+003 1000

Soil 86.3 2.88e+003 1000

Sediment 0.178 1.3e+004 0

Persistence Time: 1.68e+003 hr

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