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CAS Number: 2724-57-4



MOL FOR: C14 H28 O2

MOL WT : 228.38

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 5.91

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

Boiling Pt (deg C): 327.68 (Adapted Stein & Brown method)

Melting Pt (deg C): 91.78 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000101 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0134 (Modified Grain method)

Subcooled liquid VP: 0.000443 mm Hg (25 deg C, Mod-Grain method)

: 0.0591 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.6965

log Kow used: 5.91 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.7677 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 1.64E-005 atm-m3/mole (1.66E+000 Pa-m3/mole)

Group Method: 2.23E-005 atm-m3/mole (2.26E+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: 4.358E-005 atm-m3/mole (4.415E+000 Pa-m3/mole)

VP: 0.000101 mm Hg (source: MPBPVP)

WS: 0.697 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.91 (KowWin est)

Log Kaw used: -3.174 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.084

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7115

Biowin2 (Non-Linear Model) : 0.6008

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0591 (weeks )

Biowin4 (Primary Survey Model) : 3.9038 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6582

Biowin6 (MITI Non-Linear Model): 0.7861

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9578

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): 0.0591 Pa (0.000443 mm Hg)

Log Koa (Koawin est ): 9.084

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

Mackay model : 5.08E-005

Octanol/air (Koa) model: 0.000298

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00183

Mackay model : 0.00405

Octanol/air (Koa) model: 0.0233

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.8198 E-12 cm3/molecule-sec

Half-Life = 0.636 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.631 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00294 (Junge-Pankow, Mackay avg)

0.0233 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 891.9 L/kg (MCI method)

Log Koc: 2.950 (MCI method)

Koc : 2659 L/kg (Kow method)

Log Koc: 3.425 (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 = 1.000 (BCF = 10 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6138 days (HL = 4.109 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.145 (BCF = 1397)

Log BAF Arnot-Gobas method (upper trophic) = 3.358 (BAF = 2279)

log Kow used: 5.91 (estimated)

Volatilization from Water:

Henry LC: 2.23E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 41.22 hours (1.717 days)

Half-Life from Model Lake : 576.4 hours (24.02 days)

Removal In Wastewater Treatment:

Total removal: 91.73 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 90.94 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.39 15.3 1000

Water 23.6 360 1000

Soil 74.2 720 1000

Sediment 0.728 3.24e+003 0

Persistence Time: 459 hr

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