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CAS Num: 029127-83-1


CHEM : 2-Nonenenitrile

MOL FOR: C9 H15 N1

MOL WT : 137.23

------------------------------ 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) = 3.08

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

Boiling Pt (deg C): 230.87 (Adapted Stein & Brown method)

Melting Pt (deg C): -0.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0747 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 9.96 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 110

log Kow used: 3.08 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 286.71 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Nitriles

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

Bond Method : 8.89E-004 atm-m3/mole (9.01E+001 Pa-m3/mole)

Group Method: 9.09E-004 atm-m3/mole (9.21E+001 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: 1.226E-004 atm-m3/mole (1.242E+001 Pa-m3/mole)

VP: 0.0747 mm Hg (source: MPBPVP)

WS: 110 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.08 (KowWin est)

Log Kaw used: -1.440 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.520

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0976

Biowin2 (Non-Linear Model) : 0.9995

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1119 (weeks )

Biowin4 (Primary Survey Model) : 3.8536 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6354

Biowin6 (MITI Non-Linear Model): 0.7354

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4217

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 9.41 Pa (0.0706 mm Hg)

Log Koa (Koawin est ): 4.520

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

Mackay model : 3.19E-007

Octanol/air (Koa) model: 8.13E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.15E-005

Mackay model : 2.55E-005

Octanol/air (Koa) model: 6.5E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.7281 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 16.9441 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 8.161 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 7.575 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.028438 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 0.056875 E-17 cm3/molecule-sec [Trans-]

Half-Life = 40.299 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 20.149 Days (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

1.85E-005 (Junge-Pankow, Mackay avg)

6.5E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 311.8 L/kg (MCI method)

Log Koc: 2.494 (MCI method)

Koc : 1049 L/kg (Kow method)

Log Koc: 3.021 (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 = 1.697 (BCF = 49.81 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1911 days (HL = 0.644 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.933 (BCF = 85.7)

Log BAF Arnot-Gobas method (upper trophic) = 1.933 (BAF = 85.7)

log Kow used: 3.08 (estimated)

Volatilization from Water:

Henry LC: 0.000909 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.95 hours

Half-Life from Model Lake : 119.5 hours (4.979 days)

Removal In Wastewater Treatment:

Total removal: 31.74 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 5.38 percent

Total to Air: 26.26 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.54 16.1 1000

Water 22.7 360 1000

Soil 73.5 720 1000

Sediment 0.305 3.24e+003 0

Persistence Time: 307 hr

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