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CAS Num: 133447-37-7



MOL FOR: C7 H11 N1 O1

MOL WT : 125.17

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.15

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

Boiling Pt (deg C): 191.37 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.73 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.553 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 73.8 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1391

log Kow used: 2.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3169.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.72E-005 atm-m3/mole (6.81E+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: 6.548E-005 atm-m3/mole (6.634E+000 Pa-m3/mole)

VP: 0.553 mm Hg (source: MPBPVP)

WS: 1.39E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.15 (KowWin est)

Log Kaw used: -2.561 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.711

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6948

Biowin2 (Non-Linear Model) : 0.6853

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9001 (weeks )

Biowin4 (Primary Survey Model) : 3.6449 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5665

Biowin6 (MITI Non-Linear Model): 0.7118

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0306

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): 67.2 Pa (0.504 mm Hg)

Log Koa (Koawin est ): 4.711

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

Mackay model : 4.46E-008

Octanol/air (Koa) model: 1.26E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.61E-006

Mackay model : 3.57E-006

Octanol/air (Koa) model: 1.01E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 5.7380 E-12 cm3/molecule-sec

Half-Life = 1.864 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 22.369 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.59E-006 (Junge-Pankow, Mackay avg)

1.01E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 54.27 L/kg (MCI method)

Log Koc: 1.735 (MCI method)

Koc : 204.1 L/kg (Kow method)

Log Koc: 2.310 (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 v3.00):

Log BCF from regression-based method = 1.088 (BCF = 12.24 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8182 days (HL = 0.152 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.071 (BCF = 11.78)

Log BAF Arnot-Gobas method (upper trophic) = 1.071 (BAF = 11.78)

log Kow used: 2.15 (estimated)

Volatilization from Water:

Henry LC: 6.72E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 10.89 hours

Half-Life from Model Lake : 212.6 hours (8.858 days)

Removal In Wastewater Treatment:

Total removal: 5.75 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.25 percent

Total to Air: 3.41 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.5 44.7 1000

Water 28.8 360 1000

Soil 66.6 720 1000

Sediment 0.117 3.24e+003 0

Persistence Time: 380 hr

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