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CAS Num: 036306-86-2

SMILES : O(C(C(C(CC(OCC)=C1)(C)C)C1(C)C)=C)CC

CHEM : Cyclohexene, 1-ethoxy-4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-

MOL FOR: C16 H28 O2

MOL WT : 252.40

------------------------------ 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) = 5.04

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

Boiling Pt (deg C): 286.31 (Adapted Stein & Brown method)

Melting Pt (deg C): 69.58 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00272 (Modified Grain method)

VP (Pa, 25 deg C) : 0.362 (Modified Grain method)

Subcooled liquid VP: 0.00714 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.142

log Kow used: 5.04 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 40.935 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ethers

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

Bond Method : 7.30E-003 atm-m3/mole (7.40E+002 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: 7.910E-004 atm-m3/mole (8.015E+001 Pa-m3/mole)

VP: 0.00272 mm Hg (source: MPBPVP)

WS: 1.14 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.04 (KowWin est)

Log Kaw used: -0.525 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.565

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.4352

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1998 (months )

Biowin4 (Primary Survey Model) : 3.1572 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2515

Biowin6 (MITI Non-Linear Model): 0.0470

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0735

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): 0.952 Pa (0.00714 mm Hg)

Log Koa (Koawin est ): 5.565

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

Mackay model : 3.15E-006

Octanol/air (Koa) model: 9.02E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000114

Mackay model : 0.000252

Octanol/air (Koa) model: 7.21E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 196.8898 E-12 cm3/molecule-sec

Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.652 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 11.375000 E-17 cm3/molecule-sec

Half-Life = 0.101 Days (at 7E11 mol/cm3)

Half-Life = 2.418 Hrs

Fraction sorbed to airborne particulates (phi):

0.000183 (Junge-Pankow, Mackay avg)

7.21E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1423 L/kg (MCI method)

Log Koc: 3.153 (MCI method)

Koc : 3402 L/kg (Kow method)

Log Koc: 3.532 (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 = 2.992 (BCF = 980.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6454 days (HL = 4.419 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.180 (BCF = 1515)

Log BAF Arnot-Gobas method (upper trophic) = 3.222 (BAF = 1666)

log Kow used: 5.04 (estimated)

Volatilization from Water:

Henry LC: 0.0073 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.749 hours

Half-Life from Model Lake : 152.3 hours (6.345 days)

Removal In Wastewater Treatment:

Total removal: 88.68 percent

Total biodegradation: 0.44 percent

Total sludge adsorption: 64.51 percent

Total to Air: 23.73 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.244 0.847 1000

Water 21.8 1.44e+003 1000

Soil 75.9 2.88e+003 1000

Sediment 2.07 1.3e+004 0

Persistence Time: 395 hr

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