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CAS Number: 23579-92-2

SMILES : COCc1ccccn1

CHEM : 2-(methoxymethyl)pyridine

MOL FOR: C7 H9 N1 O1

MOL WT : 123.16

------------------------------ 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) = 0.59

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

Boiling Pt (deg C): 180.64 (Adapted Stein & Brown method)

Melting Pt (deg C): 3.75 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.936 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 125 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 6.154e+005

log Kow used: 0.59 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.2821e+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 : 9.11E-008 atm-m3/mole (9.23E-003 Pa-m3/mole)

Group Method: 9.30E-009 atm-m3/mole (9.42E-004 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: 2.465E-007 atm-m3/mole (2.497E-002 Pa-m3/mole)

VP: 0.936 mm Hg (source: MPBPVP)

WS: 6.15E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.59 (KowWin est)

Log Kaw used: -5.429 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.019

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1870

Biowin2 (Non-Linear Model) : 0.0217

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7042 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6416 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2913

Biowin6 (MITI Non-Linear Model): 0.2277

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7513

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): 113 Pa (0.851 mm Hg)

Log Koa (Koawin est ): 6.019

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

Mackay model : 2.64E-008

Octanol/air (Koa) model: 2.56E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.55E-007

Mackay model : 2.12E-006

Octanol/air (Koa) model: 2.05E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.4464 E-12 cm3/molecule-sec

Half-Life = 1.436 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 17.237 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.54E-006 (Junge-Pankow, Mackay avg)

2.05E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 53.76 L/kg (MCI method)

Log Koc: 1.730 (MCI method)

Koc : 21.74 L/kg (Kow method)

Log Koc: 1.337 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6239 days (HL = 0.02377 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.038 (BCF = 1.09)

Log BAF Arnot-Gobas method (upper trophic) = 0.038 (BAF = 1.09)

log Kow used: 0.59 (estimated)

Volatilization from Water:

Henry LC: 9.3E-009 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 6.987E+004 hours (2911 days)

Half-Life from Model Lake : 7.623E+005 hours (3.176E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.86 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 0.0805 34.5 1000

Water 21.5 900 1000

Soil 78.4 1.8e+003 1000

Sediment 0.096 8.1e+003 0

Persistence Time: 1.42e+003 hr

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