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CAS Num: 017909-77-2



MOL FOR: C15 H22 O1

MOL WT : 218.34

------------------------------ 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) = 5.61

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

Boiling Pt (deg C): 301.08 (Adapted Stein & Brown method)

Melting Pt (deg C): 15.45 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00184 (Modified Grain method)

VP (Pa, 25 deg C) : 0.246 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.5734

log Kow used: 5.61 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 12.265 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Aldehydes

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

Bond Method : 9.77E-004 atm-m3/mole (9.90E+001 Pa-m3/mole)

Group Method: 5.35E-005 atm-m3/mole (5.42E+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: 9.219E-004 atm-m3/mole (9.341E+001 Pa-m3/mole)

VP: 0.00184 mm Hg (source: MPBPVP)

WS: 0.573 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.61 (KowWin est)

Log Kaw used: -1.399 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.009

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9282

Biowin2 (Non-Linear Model) : 0.9992

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7390 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7294 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6606

Biowin6 (MITI Non-Linear Model): 0.6187

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3568

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): 0.245 Pa (0.00184 mm Hg)

Log Koa (Koawin est ): 7.009

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

Mackay model : 1.22E-005

Octanol/air (Koa) model: 2.51E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000441

Mackay model : 0.000977

Octanol/air (Koa) model: 0.0002

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 278.9637 E-12 cm3/molecule-sec

Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 27.606 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 62.182999 E-17 cm3/molecule-sec

Half-Life = 0.018 Days (at 7E11 mol/cm3)

Half-Life = 26.538 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000709 (Junge-Pankow, Mackay avg)

0.0002 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 901.1 L/kg (MCI method)

Log Koc: 2.955 (MCI method)

Koc : 6293 L/kg (Kow method)

Log Koc: 3.799 (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 = 3.366 (BCF = 2320 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.2733 days (HL = 18.76 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.713 (BCF = 5163)

Log BAF Arnot-Gobas method (upper trophic) = 4.416 (BAF = 2.604e+004)

log Kow used: 5.61 (estimated)

Volatilization from Water:

Henry LC: 5.35E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 17.68 hours

Half-Life from Model Lake : 316.8 hours (13.2 days)

Removal In Wastewater Treatment:

Total removal: 89.55 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 88.66 percent

Total to Air: 0.14 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.018 0.299 1000

Water 15.8 900 1000

Soil 83.4 1.8e+003 1000

Sediment 0.774 8.1e+003 0

Persistence Time: 978 hr

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