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CAS Num: 001628-89-3
SMILES : n1ccccc1OC
CHEM : 2-Methoxypyridine
MOL FOR: C6 H7 N1 O1
MOL WT : 109.13
------------------------------ 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) = 1.34
Log Kow (Exper. database match) = 1.34
Exper. Ref: YAMAGAMI,C ET AL. (1990A)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 159.42 (Adapted Stein & Brown method)
Melting Pt (deg C): -8.08 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.8 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 773 (Mean VP of Antoine & Grain methods)
BP (exp database): 142 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7855
log Kow used: 1.34 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.6069e+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 : 3.80E-006 atm-m3/mole (3.85E-001 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: 1.060E-004 atm-m3/mole (1.074E+001 Pa-m3/mole)
VP: 5.8 mm Hg (source: MPBPVP)
WS: 7.86E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.34 (exp database)
Log Kaw used: -3.809 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.149
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6729
Biowin2 (Non-Linear Model) : 0.8879
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6857 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7487 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5825
Biowin6 (MITI Non-Linear Model): 0.6766
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1939
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): 711 Pa (5.33 mm Hg)
Log Koa (Koawin est ): 5.149
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.22E-009
Octanol/air (Koa) model: 3.46E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.52E-007
Mackay model : 3.38E-007
Octanol/air (Koa) model: 2.77E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 4.9102 E-12 cm3/molecule-sec
Half-Life = 2.178 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 26.140 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.45E-007 (Junge-Pankow, Mackay avg)
2.77E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 45.96 L/kg (MCI method)
Log Koc: 1.662 (MCI method)
Koc : 79.17 L/kg (Kow method)
Log Koc: 1.899 (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 = 0.551 (BCF = 3.557 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0660 days (HL = 0.08591 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.418 (BCF = 2.621)
Log BAF Arnot-Gobas method (upper trophic) = 0.418 (BAF = 2.621)
log Kow used: 1.34 (expkow database)
Volatilization from Water:
Henry LC: 3.8E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 162 hours (6.751 days)
Half-Life from Model Lake : 1855 hours (77.3 days)
Removal In Wastewater Treatment:
Total removal: 2.15 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.84 percent
Total to Air: 0.21 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.83 52.3 1000
Water 29.7 900 1000
Soil 68.4 1.8e+003 1000
Sediment 0.122 8.1e+003 0
Persistence Time: 824 hr