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CAS Num: 000532-87-6

SMILES : C(=CCC(C(=C)CCC=C(C)C)C1)(C1)CCC=C(C)C

CHEM : Cyclohexene, 4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methyl-3-penteny

l)-

MOL FOR: C20 H32

MOL WT : 272.48

------------------------------ 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) = 9.42

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

Boiling Pt (deg C): 336.61 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.20 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000551 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0734 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.626e-005

log Kow used: 9.42 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0050034 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.96E+000 atm-m3/mole (7.05E+005 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: 4.270E+000 atm-m3/mole (4.327E+005 Pa-m3/mole)

VP: 0.000551 mm Hg (source: MPBPVP)

WS: 4.63E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.42 (KowWin est)

Log Kaw used: 2.454 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.966

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6178

Biowin2 (Non-Linear Model) : 0.2972

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5970 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4546 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2034

Biowin6 (MITI Non-Linear Model): 0.0561

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0665

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.6282

BioHC Half-Life (days) : 4.2480

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

Vapor pressure (liquid/subcooled): 0.0735 Pa (0.000551 mm Hg)

Log Koa (Koawin est ): 6.966

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

Mackay model : 4.08E-005

Octanol/air (Koa) model: 2.27E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00147

Mackay model : 0.00326

Octanol/air (Koa) model: 0.000182

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 323.8850 E-12 cm3/molecule-sec

Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 23.777 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 130.199997 E-17 cm3/molecule-sec

Half-Life = 0.009 Days (at 7E11 mol/cm3)

Half-Life = 12.675 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00236 (Junge-Pankow, Mackay avg)

0.000182 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.507E+005 L/kg (MCI method)

Log Koc: 5.545 (MCI method)

Koc : 1.497E+008 L/kg (Kow method)

Log Koc: 8.175 (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 = 2.938 (BCF = 866.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.5324 days (HL = 340.7 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.145 (BCF = 139.5)

Log BAF Arnot-Gobas method (upper trophic) = 5.728 (BAF = 5.343e+005)

log Kow used: 9.42 (estimated)

Volatilization from Water:

Henry LC: 6.96 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.685 hours

Half-Life from Model Lake : 156.8 hours (6.533 days)

Removal In Wastewater Treatment:

Total removal: 94.31 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 91.69 percent

Total to Air: 1.87 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0504 0.167 1000

Water 60.9 900 1000

Soil 29.5 1.8e+003 1000

Sediment 9.59 8.1e+003 0

Persistence Time: 303 hr

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