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CAS Number:



MOL FOR: C15 H26 O2

MOL WT : 238.37

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 4.41

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

Boiling Pt (deg C): 321.51 (Adapted Stein & Brown method)

Melting Pt (deg C): 104.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.64E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000751 (Modified Grain method)

Subcooled liquid VP: 3.37E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00449 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 15.31

log Kow used: 4.41 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18.649 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

a-,b-Ketone alcohol

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

Bond Method : 4.50E-005 atm-m3/mole (4.56E+000 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: 1.155E-007 atm-m3/mole (1.171E-002 Pa-m3/mole)

VP: 5.64E-006 mm Hg (source: MPBPVP)

WS: 15.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.41 (KowWin est)

Log Kaw used: -2.735 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.145

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0891

Biowin2 (Non-Linear Model) : 0.0025

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0136 (months )

Biowin4 (Primary Survey Model) : 3.0213 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4294

Biowin6 (MITI Non-Linear Model): 0.1764

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.3575

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): 0.00449 Pa (3.37E-005 mm Hg)

Log Koa (Koawin est ): 7.145

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

Mackay model : 0.000668

Octanol/air (Koa) model: 3.43E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0235

Mackay model : 0.0507

Octanol/air (Koa) model: 0.000274

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.0211 E-12 cm3/molecule-sec

Half-Life = 0.712 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.545 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0371 (Junge-Pankow, Mackay avg)

0.000274 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 131.3 L/kg (MCI method)

Log Koc: 2.118 (MCI method)

Koc : 1408 L/kg (Kow method)

Log Koc: 3.149 (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 v3.01):

Log BCF from regression-based method = 2.574 (BCF = 375.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.4139 days (HL = 2.594 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.883 (BCF = 764.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.887 (BAF = 771.3)

log Kow used: 4.41 (estimated)

Volatilization from Water:

Henry LC: 4.5E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 21.66 hours

Half-Life from Model Lake : 365.8 hours (15.24 days)

Removal In Wastewater Treatment:

Total removal: 51.98 percent

Total biodegradation: 0.48 percent

Total sludge adsorption: 50.39 percent

Total to Air: 1.11 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.822 17.1 1000

Water 19.2 1.44e+003 1000

Soil 79.8 2.88e+003 1000

Sediment 0.166 1.3e+004 0

Persistence Time: 1.12e+003 hr

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