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CAS Num: 004673-31-8

SMILES : n(cccc1CCC)c1

CHEM : Pyridine, 3-propyl-

MOL FOR: C8 H11 N1

MOL WT : 121.18

------------------------------ 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) = 2.33

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

Boiling Pt (deg C): 179.83 (Adapted Stein & Brown method)

Melting Pt (deg C): -1.97 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.973 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 130 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2.014e+004

log Kow used: 2.33 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9538.5 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.37E-005 atm-m3/mole (1.39E+000 Pa-m3/mole)

Group Method: 1.41E-005 atm-m3/mole (1.43E+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: 7.703E-006 atm-m3/mole (7.805E-001 Pa-m3/mole)

VP: 0.973 mm Hg (source: MPBPVP)

WS: 2.01E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.33 (KowWin est)

Log Kaw used: -3.252 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.582

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5900

Biowin2 (Non-Linear Model) : 0.5565

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6424 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5856 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3451

Biowin6 (MITI Non-Linear Model): 0.3480

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9201

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): 118 Pa (0.884 mm Hg)

Log Koa (Koawin est ): 5.582

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

Mackay model : 2.55E-008

Octanol/air (Koa) model: 9.38E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.19E-007

Mackay model : 2.04E-006

Octanol/air (Koa) model: 7.5E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 3.3843 E-12 cm3/molecule-sec

Half-Life = 3.160 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 37.926 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.48E-006 (Junge-Pankow, Mackay avg)

7.5E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 400 L/kg (MCI method)

Log Koc: 2.602 (MCI method)

Koc : 245.6 L/kg (Kow method)

Log Koc: 2.390 (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 = 1.207 (BCF = 16.11 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8562 days (HL = 0.1392 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.194 (BCF = 15.62)

Log BAF Arnot-Gobas method (upper trophic) = 1.194 (BAF = 15.62)

log Kow used: 2.33 (estimated)

Volatilization from Water:

Henry LC: 1.41E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 46.83 hours (1.951 days)

Half-Life from Model Lake : 603.2 hours (25.13 days)

Removal In Wastewater Treatment:

Total removal: 3.45 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.58 percent

Total to Air: 0.77 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.83 75.8 1000

Water 18.8 900 1000

Soil 79 1.8e+003 1000

Sediment 0.417 8.1e+003 0

Persistence Time: 1.01e+003 hr

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