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CAS Num: 029790-29-2



MOL FOR: C13 H18 O2

MOL WT : 206.29

------------------------------ 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) = 2.66

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

Boiling Pt (deg C): 306.76 (Adapted Stein & Brown method)

Melting Pt (deg C): 88.06 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00063 (Modified Grain method)

VP (Pa, 25 deg C) : 0.084 (Modified Grain method)

Subcooled liquid VP: 0.00254 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 216.3

log Kow used: 2.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 63.367 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 : 3.54E-008 atm-m3/mole (3.59E-003 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: 7.906E-007 atm-m3/mole (8.011E-002 Pa-m3/mole)

VP: 0.00063 mm Hg (source: MPBPVP)

WS: 216 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.66 (KowWin est)

Log Kaw used: -5.839 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.499

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4791

Biowin2 (Non-Linear Model) : 0.0724

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4862 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3522 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4550

Biowin6 (MITI Non-Linear Model): 0.3195

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.9873

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): 0.339 Pa (0.00254 mm Hg)

Log Koa (Koawin est ): 8.499

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

Mackay model : 8.86E-006

Octanol/air (Koa) model: 7.74E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00032

Mackay model : 0.000708

Octanol/air (Koa) model: 0.00616

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 216.5146 E-12 cm3/molecule-sec

Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.593 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 14.215500 E-17 cm3/molecule-sec

Half-Life = 0.081 Days (at 7E11 mol/cm3)

Half-Life = 1.935 Hrs

Fraction sorbed to airborne particulates (phi):

0.000514 (Junge-Pankow, Mackay avg)

0.00616 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 81.1 L/kg (MCI method)

Log Koc: 1.909 (MCI method)

Koc : 613.2 L/kg (Kow method)

Log Koc: 2.788 (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 = 1.424 (BCF = 26.52 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5357 days (HL = 0.2913 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.532 (BCF = 34.07)

Log BAF Arnot-Gobas method (upper trophic) = 1.532 (BAF = 34.07)

log Kow used: 2.66 (estimated)

Volatilization from Water:

Henry LC: 3.54E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.376E+004 hours (989.8 days)

Half-Life from Model Lake : 2.593E+005 hours (1.08E+004 days)

Removal In Wastewater Treatment:

Total removal: 3.64 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.54 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0354 0.735 1000

Water 24.9 900 1000

Soil 74.9 1.8e+003 1000

Sediment 0.145 8.1e+003 0

Persistence Time: 937 hr

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