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CAS Num: 005058-19-5

SMILES : n(ccc1)c(c1)CCCC

CHEM : PYRIDINE, 2-BUTYL-

MOL FOR: C9 H13 N1

MOL WT : 135.21

------------------------------ 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) = 2.83

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

Boiling Pt (deg C): 200.19 (Adapted Stein & Brown method)

Melting Pt (deg C): 9.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0979 (Modified Grain method)

VP (Pa, 25 deg C) : 13.1 (Modified Grain method)

MP (exp database): 97 deg C

BP (exp database): 192 deg C

Subcooled liquid VP: 0.489 mm Hg (25 deg C, Mod-Grain method)

: 65.2 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6761

log Kow used: 2.83 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3090.5 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.82E-005 atm-m3/mole (1.84E+000 Pa-m3/mole)

Group Method: 2.56E-005 atm-m3/mole (2.60E+000 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: 2.576E-006 atm-m3/mole (2.610E-001 Pa-m3/mole)

VP: 0.0979 mm Hg (source: MPBPVP)

WS: 6.76E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.83 (KowWin est)

Log Kaw used: -3.128 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.958

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6917

Biowin2 (Non-Linear Model) : 0.8666

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9097 (weeks )

Biowin4 (Primary Survey Model) : 3.8345 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3528

Biowin6 (MITI Non-Linear Model): 0.3536

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6283

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): 65.2 Pa (0.489 mm Hg)

Log Koa (Koawin est ): 5.958

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

Mackay model : 4.6E-008

Octanol/air (Koa) model: 2.23E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.66E-006

Mackay model : 3.68E-006

Octanol/air (Koa) model: 1.78E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 4.7974 E-12 cm3/molecule-sec

Half-Life = 2.230 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 26.755 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.67E-006 (Junge-Pankow, Mackay avg)

1.78E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 729 L/kg (MCI method)

Log Koc: 2.863 (MCI method)

Koc : 464.3 L/kg (Kow method)

Log Koc: 2.667 (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 = 1.531 (BCF = 33.96 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6830 days (HL = 0.2075 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.580 (BCF = 37.98)

Log BAF Arnot-Gobas method (upper trophic) = 1.580 (BAF = 37.98)

log Kow used: 2.83 (estimated)

Volatilization from Water:

Henry LC: 2.56E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 27.78 hours (1.158 days)

Half-Life from Model Lake : 400.6 hours (16.69 days)

Removal In Wastewater Treatment:

Total removal: 5.79 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.33 percent

Total to Air: 1.35 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.29 53.5 1000

Water 23.3 360 1000

Soil 72.8 720 1000

Sediment 0.628 3.24e+003 0

Persistence Time: 467 hr

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