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CAS Num: 008014-29-7

SMILES : CC(=O)CCCCCCCCC

CHEM : Oils, rue

MOL FOR: C11 H22 O1

MOL WT : 170.30

------------------------------ 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) = 3.69

Log Kow (Exper. database match) = 4.09

Exper. Ref: TANII,H & HASHIMOTO,K (1986)

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

Boiling Pt (deg C): 224.03 (Adapted Stein & Brown method)

Melting Pt (deg C): 3.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.112 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 14.9 (Mean VP of Antoine & Grain methods)

MP (exp database): 15 deg C

BP (exp database): 231.5 deg C

VP (exp database): 4.14E-02 mm Hg (5.52E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 19.71

log Kow used: 4.09 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 39.664 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.78E-004 atm-m3/mole (4.84E+001 Pa-m3/mole)

Group Method: 6.29E-004 atm-m3/mole (6.37E+001 Pa-m3/mole)

Exper Database: 6.36E-05 atm-m3/mole (6.44E+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: 1.273E-003 atm-m3/mole (1.290E+002 Pa-m3/mole)

VP: 0.112 mm Hg (source: MPBPVP)

WS: 19.7 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.09 (exp database)

Log Kaw used: -2.585 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.675

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7817

Biowin2 (Non-Linear Model) : 0.8788

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0987 (weeks )

Biowin4 (Primary Survey Model) : 3.8489 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7194

Biowin6 (MITI Non-Linear Model): 0.8719

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1752

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): 5.52 Pa (0.0414 mm Hg)

Log Koa (Koawin est ): 6.675

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

Mackay model : 5.43E-007

Octanol/air (Koa) model: 1.16E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.96E-005

Mackay model : 4.35E-005

Octanol/air (Koa) model: 9.29E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.8254 E-12 cm3/molecule-sec

Half-Life = 0.774 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.284 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.16E-005 (Junge-Pankow, Mackay avg)

9.29E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 301.1 L/kg (MCI method)

Log Koc: 2.479 (MCI method)

Koc : 2415 L/kg (Kow method)

Log Koc: 3.383 (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 = 0.991 (BCF = 9.801 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1790 days (HL = 0.6623 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.362 (BCF = 230.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.362 (BAF = 230.4)

log Kow used: 4.09 (expkow database)

Volatilization from Water:

Henry LC: 6.36E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 13.34 hours

Half-Life from Model Lake : 255 hours (10.63 days)

Removal In Wastewater Treatment:

Total removal: 36.05 percent

Total biodegradation: 0.35 percent

Total sludge adsorption: 33.58 percent

Total to Air: 2.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.93 18.6 1000

Water 23.3 360 1000

Soil 74.4 720 1000

Sediment 0.305 3.24e+003 0

Persistence Time: 432 hr

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