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CAS Num: 080858-47-5

SMILES : c1cc(ccc1)CCOC2CCCCC2

CHEM : Benzene, [2-(cyclohexyloxy)ethyl]-

MOL FOR: C14 H20 O1

MOL WT : 204.31

------------------------------ 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) = 4.54

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

Boiling Pt (deg C): 288.64 (Adapted Stein & Brown method)

Melting Pt (deg C): 42.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00246 (Modified Grain method)

VP (Pa, 25 deg C) : 0.328 (Modified Grain method)

Subcooled liquid VP: 0.00356 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 5.566

log Kow used: 4.54 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 22.809 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.68E-004 atm-m3/mole (1.70E+001 Pa-m3/mole)

Group Method: 1.44E-005 atm-m3/mole (1.46E+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: 1.188E-004 atm-m3/mole (1.204E+001 Pa-m3/mole)

VP: 0.00246 mm Hg (source: MPBPVP)

WS: 5.57 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.54 (KowWin est)

Log Kaw used: -2.163 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.703

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4857

Biowin2 (Non-Linear Model) : 0.2797

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6862 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4796 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2517

Biowin6 (MITI Non-Linear Model): 0.1793

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3366

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): 0.475 Pa (0.00356 mm Hg)

Log Koa (Koawin est ): 6.703

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

Mackay model : 6.32E-006

Octanol/air (Koa) model: 1.24E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000228

Mackay model : 0.000505

Octanol/air (Koa) model: 9.91E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 40.0908 E-12 cm3/molecule-sec

Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.202 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000367 (Junge-Pankow, Mackay avg)

9.91E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4089 L/kg (MCI method)

Log Koc: 3.612 (MCI method)

Koc : 2217 L/kg (Kow method)

Log Koc: 3.346 (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 = 2.660 (BCF = 456.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0297 days (HL = 0.9338 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.549 (BCF = 353.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.550 (BAF = 354.4)

log Kow used: 4.54 (estimated)

Volatilization from Water:

Henry LC: 1.44E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 59.57 hours (2.482 days)

Half-Life from Model Lake : 769.8 hours (32.07 days)

Removal In Wastewater Treatment:

Total removal: 58.31 percent

Total biodegradation: 0.54 percent

Total sludge adsorption: 57.47 percent

Total to Air: 0.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.28 6.4 1000

Water 16.2 900 1000

Soil 79.7 1.8e+003 1000

Sediment 3.8 8.1e+003 0

Persistence Time: 1.08e+003 hr

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