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CAS Num: 017369-60-7



MOL FOR: C12 H20 O1

MOL WT : 180.29

------------------------------ 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) = 4.07

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

Boiling Pt (deg C): 250.40 (Adapted Stein & Brown method)

Melting Pt (deg C): 46.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0272 (Modified Grain method)

VP (Pa, 25 deg C) : 3.63 (Modified Grain method)

Subcooled liquid VP: 0.0423 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 18.21

log Kow used: 4.07 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 20.242 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ketones

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

Bond Method : 1.83E-004 atm-m3/mole (1.85E+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: 3.543E-004 atm-m3/mole (3.590E+001 Pa-m3/mole)

VP: 0.0272 mm Hg (source: MPBPVP)

WS: 18.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.07 (KowWin est)

Log Kaw used: -2.126 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.196

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4846

Biowin2 (Non-Linear Model) : 0.1509

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5661 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4120 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4448

Biowin6 (MITI Non-Linear Model): 0.3072

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3425

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): 5.64 Pa (0.0423 mm Hg)

Log Koa (Koawin est ): 6.196

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

Mackay model : 5.32E-007

Octanol/air (Koa) model: 3.85E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.92E-005

Mackay model : 4.26E-005

Octanol/air (Koa) model: 3.08E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 104.1705 E-12 cm3/molecule-sec

Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.232 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 48.059372 E-17 cm3/molecule-sec

Half-Life = 0.024 Days (at 7E11 mol/cm3)

Half-Life = 34.337 Min

Fraction sorbed to airborne particulates (phi):

3.09E-005 (Junge-Pankow, Mackay avg)

3.08E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 360.7 L/kg (MCI method)

Log Koc: 2.557 (MCI method)

Koc : 2355 L/kg (Kow method)

Log Koc: 3.372 (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 = 2.355 (BCF = 226.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1328 days (HL = 1.358 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.593 (BCF = 391.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.593 (BAF = 391.8)

log Kow used: 4.07 (estimated)

Volatilization from Water:

Henry LC: 0.000183 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.666 hours

Half-Life from Model Lake : 174.4 hours (7.267 days)

Removal In Wastewater Treatment:

Total removal: 37.80 percent

Total biodegradation: 0.33 percent

Total sludge adsorption: 32.03 percent

Total to Air: 5.44 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0442 0.465 1000

Water 15.7 900 1000

Soil 84 1.8e+003 1000

Sediment 0.315 8.1e+003 0

Persistence Time: 791 hr

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