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CAS Num: 002345-27-9



MOL FOR: C14 H28 O1

MOL WT : 212.38

------------------------------ 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) = 5.17

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

Boiling Pt (deg C): 276.33 (Adapted Stein & Brown method)

Melting Pt (deg C): 36.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00987 (Modified Grain method)

VP (Pa, 25 deg C) : 1.32 (Modified Grain method)

MP (exp database): 33.5 deg C

Subcooled liquid VP: 0.0118 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.46

log Kow used: 5.17 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.2113 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.12E-003 atm-m3/mole (1.13E+002 Pa-m3/mole)

Group Method: 1.77E-003 atm-m3/mole (1.80E+002 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: 1.889E-003 atm-m3/mole (1.914E+002 Pa-m3/mole)

VP: 0.00987 mm Hg (source: MPBPVP)

WS: 1.46 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.17 (KowWin est)

Log Kaw used: -1.339 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.509

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7617

Biowin2 (Non-Linear Model) : 0.7996

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0057 (weeks )

Biowin4 (Primary Survey Model) : 3.7882 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7425

Biowin6 (MITI Non-Linear Model): 0.8799

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2532

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): 1.57 Pa (0.0118 mm Hg)

Log Koa (Koawin est ): 6.509

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

Mackay model : 1.91E-006

Octanol/air (Koa) model: 7.93E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.89E-005

Mackay model : 0.000153

Octanol/air (Koa) model: 6.34E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.0645 E-12 cm3/molecule-sec

Half-Life = 0.592 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.105 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000111 (Junge-Pankow, Mackay avg)

6.34E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1822 L/kg (MCI method)

Log Koc: 3.261 (MCI method)

Koc : 9558 L/kg (Kow method)

Log Koc: 3.980 (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 = 1.702 (BCF = 50.34 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1167 days (HL = 1.308 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.713 (BCF = 516.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.719 (BAF = 523)

log Kow used: 5.17 (estimated)

Volatilization from Water:

Henry LC: 0.00177 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.969 hours

Half-Life from Model Lake : 143.7 hours (5.987 days)

Removal In Wastewater Treatment:

Total removal: 85.04 percent

Total biodegradation: 0.63 percent

Total sludge adsorption: 77.07 percent

Total to Air: 7.35 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.39 14.2 1000

Water 17.6 360 1000

Soil 79 720 1000

Sediment 1.05 3.24e+003 0

Persistence Time: 373 hr

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