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CAS Number: 590-71-6



MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ 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) = 3.33

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

Boiling Pt (deg C): 204.20 (Adapted Stein & Brown method)

Melting Pt (deg C): -9.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.292 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 39 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 106.4

log Kow used: 3.33 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 674.56 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Vinyl/Allyl Aldehydes

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

Bond Method : 4.34E-004 atm-m3/mole (4.39E+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: 5.497E-004 atm-m3/mole (5.570E+001 Pa-m3/mole)

VP: 0.292 mm Hg (source: MPBPVP)

WS: 106 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.33 (KowWin est)

Log Kaw used: -1.751 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.081

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8842

Biowin2 (Non-Linear Model) : 0.9997

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9713 (weeks )

Biowin4 (Primary Survey Model) : 3.9404 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8507

Biowin6 (MITI Non-Linear Model): 0.9044

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0271

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 35.7 Pa (0.268 mm Hg)

Log Koa (Koawin est ): 5.081

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

Mackay model : 8.4E-008

Octanol/air (Koa) model: 2.96E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.03E-006

Mackay model : 6.72E-006

Octanol/air (Koa) model: 2.37E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 81.2857 E-12 cm3/molecule-sec

Half-Life = 0.132 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.579 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.097500 E-17 cm3/molecule-sec

Half-Life = 11.754 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

4.87E-006 (Junge-Pankow, Mackay avg)

2.37E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 25.36 L/kg (MCI method)

Log Koc: 1.404 (MCI method)

Koc : 344.9 L/kg (Kow method)

Log Koc: 2.538 (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 = 1.864 (BCF = 73.06 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0593 days (HL = 1.146 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.186 (BCF = 153.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.187 (BAF = 153.7)

log Kow used: 3.33 (estimated)

Volatilization from Water:

Henry LC: 0.000434 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.924 hours

Half-Life from Model Lake : 135.4 hours (5.64 days)

Removal In Wastewater Treatment:

Total removal: 23.83 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 8.79 percent

Total to Air: 14.90 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.54 3.12 1000

Water 42.9 360 1000

Soil 55.4 720 1000

Sediment 0.124 3.24e+003 0

Persistence Time: 186 hr

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