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CAS Number: 98319-26-7


CHEM : Proscar

MOL FOR: C23 H36 N2 O2

MOL WT : 372.56

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 3.20

Log Kow (Exper. database match) = 3.03

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 550.46 (Adapted Stein & Brown method)

Melting Pt (deg C): 236.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.79E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 6.39E-010 (Modified Grain method)

MP (exp database): 252-254 deg C

Subcooled liquid VP: 1.42E-009 mm Hg (25 deg C, Mod-Grain method)

: 1.89E-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): 11.68

log Kow used: 3.03 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 300.87 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:



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

Bond Method : 3.77E-011 atm-m3/mole (3.82E-006 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: 2.010E-013 atm-m3/mole (2.037E-008 Pa-m3/mole)

VP: 4.79E-012 mm Hg (source: MPBPVP)

WS: 11.7 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.03 (exp database)

Log Kaw used: -8.812 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.842

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4387

Biowin2 (Non-Linear Model) : 0.1122

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.6311 (recalcitrant)

Biowin4 (Primary Survey Model) : 3.2608 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2549

Biowin6 (MITI Non-Linear Model): 0.0129

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.3701

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): 1.89E-007 Pa (1.42E-009 mm Hg)

Log Koa (Koawin est ): 11.842

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

Mackay model : 15.8

Octanol/air (Koa) model: 0.171

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.998

Mackay model : 0.999

Octanol/air (Koa) model: 0.932

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 55.5134 E-12 cm3/molecule-sec

Half-Life = 0.193 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.312 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

0.932 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.552E+004 L/kg (MCI method)

Log Koc: 4.658 (MCI method)

Koc : 354.8 L/kg (Kow method)

Log Koc: 2.550 (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 = 1.666 (BCF = 46.37 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7203 days (HL = 0.1904 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.663 (BCF = 45.99)

Log BAF Arnot-Gobas method (upper trophic) = 1.663 (BAF = 45.99)

log Kow used: 3.03 (expkow database)

Volatilization from Water:

Henry LC: 3.77E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.998E+007 hours (1.249E+006 days)

Half-Life from Model Lake : 3.27E+008 hours (1.363E+007 days)

Removal In Wastewater Treatment:

Total removal: 5.95 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 5.83 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 0.0204 4.49 1000

Water 3.67 4.32e+003 1000

Soil 76.5 8.64e+003 1000

Sediment 19.8 3.89e+004 0

Persistence Time: 6.9e+003 hr

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