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CAS Num: 007493-59-6

SMILES : CCCCCCCCC(=O)C(=O)C

CHEM :

MOL FOR: C11 H20 O2

MOL WT : 184.28

------------------------------ 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) = 2.10

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

Boiling Pt (deg C): 259.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 39.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0207 (Modified Grain method)

VP (Pa, 25 deg C) : 2.76 (Modified Grain method)

Subcooled liquid VP: 0.0277 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 842.2

log Kow used: 2.10 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 35.652 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.43E-006 atm-m3/mole (1.45E-001 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 5.960E-006 atm-m3/mole (6.039E-001 Pa-m3/mole)

VP: 0.0207 mm Hg (source: MPBPVP)

WS: 842 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.10 (KowWin est)

Log Kaw used: -4.233 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.333

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7682

Biowin2 (Non-Linear Model) : 0.9034

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0903 (weeks )

Biowin4 (Primary Survey Model) : 3.8509 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5106

Biowin6 (MITI Non-Linear Model): 0.5624

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5411

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): 3.69 Pa (0.0277 mm Hg)

Log Koa (Koawin est ): 6.333

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

Mackay model : 8.12E-007

Octanol/air (Koa) model: 5.28E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.93E-005

Mackay model : 6.5E-005

Octanol/air (Koa) model: 4.23E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.4123 E-12 cm3/molecule-sec

Half-Life = 0.862 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.341 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.72E-005 (Junge-Pankow, Mackay avg)

4.23E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 42.47 L/kg (Kow method)

Log Koc: 1.628 (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 = 1.053 (BCF = 11.31 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6702 days (HL = 0.2137 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.063 (BCF = 11.57)

Log BAF Arnot-Gobas method (upper trophic) = 1.063 (BAF = 11.57)

log Kow used: 2.10 (estimated)

Volatilization from Water:

Henry LC: 1.43E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 557.2 hours (23.22 days)

Half-Life from Model Lake : 6192 hours (258 days)

Removal In Wastewater Treatment:

Total removal: 2.43 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.25 percent

Total to Air: 0.08 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.02 20.7 1000

Water 39.1 360 1000

Soil 58.8 720 1000

Sediment 0.088 3.24e+003 0

Persistence Time: 386 hr

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