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CAS Number: 13567-40-3



MOL FOR: C15 H24 O1

MOL WT : 220.36

------------------------------ 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) = 4.48

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

Boiling Pt (deg C): 286.38 (Adapted Stein & Brown method)

Melting Pt (deg C): 74.10 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00244 (Modified Grain method)

VP (Pa, 25 deg C) : 0.325 (Modified Grain method)

Subcooled liquid VP: 0.00711 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 5.088

log Kow used: 4.48 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.9129 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.27E-004 atm-m3/mole (1.29E+001 Pa-m3/mole)

Group Method: 1.47E-005 atm-m3/mole (1.49E+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: 1.390E-004 atm-m3/mole (1.409E+001 Pa-m3/mole)

VP: 0.00244 mm Hg (source: MPBPVP)

WS: 5.09 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.48 (KowWin est)

Log Kaw used: -2.285 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.765

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2816

Biowin2 (Non-Linear Model) : 0.0176

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2655 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2007 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4399

Biowin6 (MITI Non-Linear Model): 0.1547

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8648

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): 0.948 Pa (0.00711 mm Hg)

Log Koa (Koawin est ): 6.765

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

Mackay model : 3.16E-006

Octanol/air (Koa) model: 1.43E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000114

Mackay model : 0.000253

Octanol/air (Koa) model: 0.000114

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 17.0795 E-12 cm3/molecule-sec

Half-Life = 0.626 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.515 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000184 (Junge-Pankow, Mackay avg)

0.000114 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2114 L/kg (MCI method)

Log Koc: 3.325 (MCI method)

Koc : 3969 L/kg (Kow method)

Log Koc: 3.599 (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 = 2.625 (BCF = 421.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5622 days (HL = 3.649 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.006 (BCF = 1014)

Log BAF Arnot-Gobas method (upper trophic) = 3.014 (BAF = 1034)

log Kow used: 4.48 (estimated)

Volatilization from Water:

Henry LC: 1.47E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 60.64 hours (2.527 days)

Half-Life from Model Lake : 786 hours (32.75 days)

Removal In Wastewater Treatment:

Total removal: 55.20 percent

Total biodegradation: 0.51 percent

Total sludge adsorption: 54.34 percent

Total to Air: 0.35 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.6 15 1000

Water 16.7 900 1000

Soil 80.7 1.8e+003 1000

Sediment 2 8.1e+003 0

Persistence Time: 1.06e+003 hr

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