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CAS Num: 000628-99-9

SMILES : OC(CCCCCCC)C

CHEM : 2-Nonanol

MOL FOR: C9 H20 O1

MOL WT : 144.26

------------------------------ 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) = 3.22

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

Boiling Pt (deg C): 202.13 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.109 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 14.5 (Mean VP of Antoine & Grain methods)

MP (exp database): -35.5 deg C

BP (exp database): 193.5 deg C

VP (exp database): 6.76E-02 mm Hg (9.01E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 459.7

log Kow used: 3.22 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 259 mg/L (15 deg C)

Exper. Ref: BARTON,AFM (1984)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 413.45 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.12E-005 atm-m3/mole (4.17E+000 Pa-m3/mole)

Group Method: 9.09E-005 atm-m3/mole (9.21E+000 Pa-m3/mole)

Exper Database: 4.88E-05 atm-m3/mole (4.94E+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: 4.501E-005 atm-m3/mole (4.560E+000 Pa-m3/mole)

VP: 0.109 mm Hg (source: MPBPVP)

WS: 460 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.22 (KowWin est)

Log Kaw used: -2.700 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.920

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9460

Biowin2 (Non-Linear Model) : 0.9806

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3387 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0381 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6908

Biowin6 (MITI Non-Linear Model): 0.8678

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4821

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): 9.01 Pa (0.0676 mm Hg)

Log Koa (Koawin est ): 5.920

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

Mackay model : 3.33E-007

Octanol/air (Koa) model: 2.04E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.2E-005

Mackay model : 2.66E-005

Octanol/air (Koa) model: 1.63E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 17.0403 E-12 cm3/molecule-sec

Half-Life = 0.628 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.532 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.93E-005 (Junge-Pankow, Mackay avg)

1.63E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 58.68 L/kg (MCI method)

Log Koc: 1.769 (MCI method)

Koc : 197.1 L/kg (Kow method)

Log Koc: 2.295 (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 = 1.794 (BCF = 62.16 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4998 days (HL = 0.3164 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.876 (BCF = 75.21)

Log BAF Arnot-Gobas method (upper trophic) = 1.876 (BAF = 75.21)

log Kow used: 3.22 (estimated)

Volatilization from Water:

Henry LC: 4.88E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 15.64 hours

Half-Life from Model Lake : 271.3 hours (11.3 days)

Removal In Wastewater Treatment:

Total removal: 10.34 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.81 percent

Total to Air: 2.38 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.72 15.1 1000

Water 30 208 1000

Soil 67.2 416 1000

Sediment 0.113 1.87e+003 0

Persistence Time: 254 hr

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