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CAS Num: 004075-07-4



MOL FOR: C19 H26 O1

MOL WT : 270.42

------------------------------ 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) = 4.59

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

Boiling Pt (deg C): 355.20 (Adapted Stein & Brown method)

Melting Pt (deg C): 122.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.22E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00297 (Modified Grain method)

Subcooled liquid VP: 0.00021 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 2.175

log Kow used: 4.59 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.5907 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 : 8.48E-005 atm-m3/mole (8.60E+000 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: 3.632E-006 atm-m3/mole (3.680E-001 Pa-m3/mole)

VP: 2.22E-005 mm Hg (source: MPBPVP)

WS: 2.17 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.59 (KowWin est)

Log Kaw used: -2.460 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.050

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2578

Biowin2 (Non-Linear Model) : 0.0087

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1549 (months )

Biowin4 (Primary Survey Model) : 3.1285 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3554

Biowin6 (MITI Non-Linear Model): 0.0947

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.3257

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): 0.028 Pa (0.00021 mm Hg)

Log Koa (Koawin est ): 7.050

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

Mackay model : 0.000107

Octanol/air (Koa) model: 2.75E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00386

Mackay model : 0.0085

Octanol/air (Koa) model: 0.00022

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 155.9404 E-12 cm3/molecule-sec

Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.823 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec

Half-Life = 0.504 Days (at 7E11 mol/cm3)

Half-Life = 12.090 Hrs

Fraction sorbed to airborne particulates (phi):

0.00618 (Junge-Pankow, Mackay avg)

0.00022 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.741E+004 L/kg (MCI method)

Log Koc: 4.438 (MCI method)

Koc : 4566 L/kg (Kow method)

Log Koc: 3.660 (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 = 2.697 (BCF = 497.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7652 days (HL = 5.823 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.169 (BCF = 1477)

Log BAF Arnot-Gobas method (upper trophic) = 3.194 (BAF = 1564)

log Kow used: 4.59 (estimated)

Volatilization from Water:

Henry LC: 8.48E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 13.03 hours

Half-Life from Model Lake : 280.1 hours (11.67 days)

Removal In Wastewater Treatment:

Total removal: 61.60 percent

Total biodegradation: 0.55 percent

Total sludge adsorption: 59.51 percent

Total to Air: 1.55 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0474 1.45 1000

Water 8.08 1.44e+003 1000

Soil 75.1 2.88e+003 1000

Sediment 16.8 1.3e+004 0

Persistence Time: 1.84e+003 hr

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