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CAS Number: 38049-04-6

SMILES : O=C1OC2C(=C1C)CCC(C2)C

CHEM :

MOL FOR: C10 H14 O2

MOL WT : 166.22

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 1.94

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

Boiling Pt (deg C): 285.19 (Adapted Stein & Brown method)

Melting Pt (deg C): 41.32 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00304 (Modified Grain method)

VP (Pa, 25 deg C) : 0.405 (Modified Grain method)

Subcooled liquid VP: 0.00427 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1421

log Kow used: 1.94 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 421.08 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Methacrylates

Vinyl/Allyl Esters

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

Bond Method : 1.62E-004 atm-m3/mole (1.64E+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: 4.679E-007 atm-m3/mole (4.741E-002 Pa-m3/mole)

VP: 0.00304 mm Hg (source: MPBPVP)

WS: 1.42E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.94 (KowWin est)

Log Kaw used: -2.179 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.119

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8426

Biowin2 (Non-Linear Model) : 0.9912

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9721 (weeks )

Biowin4 (Primary Survey Model) : 3.8369 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6463

Biowin6 (MITI Non-Linear Model): 0.6599

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5677

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): 0.569 Pa (0.00427 mm Hg)

Log Koa (Koawin est ): 4.119

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

Mackay model : 5.27E-006

Octanol/air (Koa) model: 3.23E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00019

Mackay model : 0.000421

Octanol/air (Koa) model: 2.58E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 48.1567 E-12 cm3/molecule-sec

Half-Life = 0.222 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.665 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):

0.000306 (Junge-Pankow, Mackay avg)

2.58E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 183.9 L/kg (MCI method)

Log Koc: 2.265 (MCI method)

Koc : 85.62 L/kg (Kow method)

Log Koc: 1.933 (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 = 0.945 (BCF = 8.806 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6768 days (HL = 0.2105 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.927 (BCF = 8.459)

Log BAF Arnot-Gobas method (upper trophic) = 0.927 (BAF = 8.459)

log Kow used: 1.94 (estimated)

Volatilization from Water:

Henry LC: 0.000162 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.975 hours

Half-Life from Model Lake : 173.3 hours (7.22 days)

Removal In Wastewater Treatment:

Total removal: 9.44 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.97 percent

Total to Air: 7.37 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0916 0.517 1000

Water 23.6 360 1000

Soil 76.1 720 1000

Sediment 0.212 3.24e+003 0

Persistence Time: 376 hr

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