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CAS Number: 103-74-2

SMILES : n(c(ccc1)CCO)c1

CHEM : 2-Pyridineethanol

MOL FOR: C7 H9 N1 O1

MOL WT : 123.16

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 0.38

Log Kow (Exper. database match) = 0.12

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 233.54 (Adapted Stein & Brown method)

Melting Pt (deg C): 38.49 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0093 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.24 (Mean VP of Antoine & Grain methods)

MP (exp database): -7.8 deg C

BP (exp database): 116 @ 9 mm Hg deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: 0.12 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.78E-010 atm-m3/mole (3.83E-005 Pa-m3/mole)

Group Method: 1.47E-010 atm-m3/mole (1.49E-005 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: 1.507E-009 atm-m3/mole (1.527E-004 Pa-m3/mole)

VP: 0.0093 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.12 (exp database)

Log Kaw used: -7.811 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.931

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7477

Biowin2 (Non-Linear Model) : 0.7886

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7980 (weeks )

Biowin4 (Primary Survey Model) : 3.7122 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5000

Biowin6 (MITI Non-Linear Model): 0.5744

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.1324

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): 1.16 Pa (0.00872 mm Hg)

Log Koa (Koawin est ): 7.931

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

Mackay model : 2.58E-006

Octanol/air (Koa) model: 2.09E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.32E-005

Mackay model : 0.000206

Octanol/air (Koa) model: 0.00167

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 6.2291 E-12 cm3/molecule-sec

Half-Life = 1.717 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 20.605 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00015 (Junge-Pankow, Mackay avg)

0.00167 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 19.24 L/kg (MCI method)

Log Koc: 1.284 (MCI method)

Koc : 5.707 L/kg (Kow method)

Log Koc: 0.756 (Kow method)

Experimental Log Koc: 1.45 (database)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.8484 days (HL = 0.01418 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.025 (BCF = 0.9436)

Log BAF Arnot-Gobas method (upper trophic) = -0.025 (BAF = 0.9436)

log Kow used: 0.12 (expkow database)

Volatilization from Water:

Henry LC: 1.47E-010 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.42E+006 hours (1.842E+005 days)

Half-Life from Model Lake : 4.822E+007 hours (2.009E+006 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.00298 41.2 1000

Water 26.9 360 1000

Soil 73.1 720 1000

Sediment 0.0709 3.24e+003 0

Persistence Time: 671 hr

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