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CAS Number: 59303-12-7

SMILES : Cc1nc(ccc1)COC

CHEM : 2-(methoxymethyl)-6-methylpyridine

MOL FOR: C8 H11 N1 O1

MOL WT : 137.18

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

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 v1.67 estimate) = 1.13

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

Boiling Pt (deg C): 200.95 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.344 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 45.9 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.847e+005

log Kow used: 1.13 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.0873e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.01E-007 atm-m3/mole (1.02E-002 Pa-m3/mole)

Group Method: 1.28E-008 atm-m3/mole (1.30E-003 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 3.362E-007 atm-m3/mole (3.406E-002 Pa-m3/mole)

VP: 0.344 mm Hg (source: MPBPVP)

WS: 1.85E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.13 (KowWin est)

Log Kaw used: -5.384 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.514

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2350

Biowin2 (Non-Linear Model) : 0.0314

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5983 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5528 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2828

Biowin6 (MITI Non-Linear Model): 0.1917

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4749

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): 42 Pa (0.315 mm Hg)

Log Koa (Koawin est ): 6.514

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

Mackay model : 7.14E-008

Octanol/air (Koa) model: 8.02E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.58E-006

Mackay model : 5.71E-006

Octanol/air (Koa) model: 6.41E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 9.0632 E-12 cm3/molecule-sec

Half-Life = 1.180 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 14.162 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.15E-006 (Junge-Pankow, Mackay avg)

6.41E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 86.26 L/kg (MCI method)

Log Koc: 1.936 (MCI method)

Koc : 43.24 L/kg (Kow method)

Log Koc: 1.636 (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 = 0.415 (BCF = 2.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6672 days (HL = 0.02152 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.182 (BCF = 1.52)

Log BAF Arnot-Gobas method (upper trophic) = 0.182 (BAF = 1.52)

log Kow used: 1.13 (estimated)

Volatilization from Water:

Henry LC: 1.28E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 5.357E+004 hours (2232 days)

Half-Life from Model Lake : 5.845E+005 hours (2.436E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.90 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.81 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 0.1 28.3 1000

Water 18.7 900 1000

Soil 81.1 1.8e+003 1000

Sediment 0.113 8.1e+003 0

Persistence Time: 1.48e+003 hr

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