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CAS Number: 14529-53-4
SMILES : n1ccccc1OCC
CHEM : 2-Ethoxypyridine
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) = 1.83
Log Kow (Exper. database match) = 1.81
Exper. Ref: YAMAGAMI,C ET AL. (1990A)
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): 2781
log Kow used: 1.81 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 52660 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.05E-006 atm-m3/mole (5.12E-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: 5.454E-005 atm-m3/mole (5.526E+000 Pa-m3/mole)
VP: 0.936 mm Hg (source: MPBPVP)
WS: 2.78E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.81 (exp database)
Log Kaw used: -3.685 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.495
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6663
Biowin2 (Non-Linear Model) : 0.8665
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6547 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7284 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5902
Biowin6 (MITI Non-Linear Model): 0.6819
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2199
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 ): 5.495
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.64E-008
Octanol/air (Koa) model: 7.67E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.55E-007
Mackay model : 2.12E-006
Octanol/air (Koa) model: 6.14E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 10.2540 E-12 cm3/molecule-sec
Half-Life = 1.043 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 12.517 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.54E-006 (Junge-Pankow, Mackay avg)
6.14E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 83.75 L/kg (MCI method)
Log Koc: 1.923 (MCI method)
Koc : 144.1 L/kg (Kow method)
Log Koc: 2.159 (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 = 0.861 (BCF = 7.265 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9333 days (HL = 0.1166 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.778 (BCF = 5.998)
Log BAF Arnot-Gobas method (upper trophic) = 0.778 (BAF = 5.998)
log Kow used: 1.81 (expkow database)
Volatilization from Water:
Henry LC: 5.05E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 129.8 hours (5.408 days)
Half-Life from Model Lake : 1509 hours (62.88 days)
Removal In Wastewater Treatment:
Total removal: 2.38 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.01 percent
Total to Air: 0.28 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.07 25 1000
Water 25.5 900 1000
Soil 73.3 1.8e+003 1000
Sediment 0.151 8.1e+003 0
Persistence Time: 881 hr