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CAS Number: 25805-17-8



MOL FOR: C5 H9 N1 O1

MOL WT : 99.13

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

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) = 1.96

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

Boiling Pt (deg C): 133.65 (Adapted Stein & Brown method)

Melting Pt (deg C): -18.07 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.49 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.13E+003 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2472

log Kow used: 1.96 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8880.5 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 4.41E-005 atm-m3/mole (4.47E+000 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: 4.480E-004 atm-m3/mole (4.539E+001 Pa-m3/mole)

VP: 8.49 mm Hg (source: MPBPVP)

WS: 2.47E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.96 (KowWin est)

Log Kaw used: -2.744 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.704

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7004

Biowin2 (Non-Linear Model) : 0.8322

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9801 (weeks )

Biowin4 (Primary Survey Model) : 3.7047 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5065

Biowin6 (MITI Non-Linear Model): 0.6424

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5425

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 1.05E+003 Pa (7.84 mm Hg)

Log Koa (Koawin est ): 4.704

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

Mackay model : 2.87E-009

Octanol/air (Koa) model: 1.24E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.04E-007

Mackay model : 2.3E-007

Octanol/air (Koa) model: 9.93E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.0134 E-12 cm3/molecule-sec

Half-Life = 1.068 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.818 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.67E-007 (Junge-Pankow, Mackay avg)

9.93E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 32.9 L/kg (MCI method)

Log Koc: 1.517 (MCI method)

Koc : 82.92 L/kg (Kow method)

Log Koc: 1.919 (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 = 0.963 (BCF = 9.184 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7258 days (HL = 0.188 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.941 (BCF = 8.739)

Log BAF Arnot-Gobas method (upper trophic) = 0.941 (BAF = 8.739)

log Kow used: 1.96 (estimated)

Volatilization from Water:

Henry LC: 4.41E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 14.23 hours

Half-Life from Model Lake : 238.8 hours (9.949 days)

Removal In Wastewater Treatment:

Total removal: 4.49 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.08 percent

Total to Air: 2.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.1 25.6 1000

Water 32.2 360 1000

Soil 64.6 720 1000

Sediment 0.103 3.24e+003 0

Persistence Time: 369 hr

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