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CAS Number:

SMILES : CC1(C2CCC3(CCC=CC3(C2)O1)C)C

CHEM :

MOL FOR: C14 H22 O1

MOL WT : 206.33

------------------------------ 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) = 3.97

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

Boiling Pt (deg C): 248.76 (Adapted Stein & Brown method)

Melting Pt (deg C): 51.80 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.026 (Modified Grain method)

VP (Pa, 25 deg C) : 3.47 (Modified Grain method)

Subcooled liquid VP: 0.0459 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 16.36

log Kow used: 3.97 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 17.006 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Vinyl/Allyl Ethers

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

Bond Method : 2.45E-004 atm-m3/mole (2.48E+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: 4.315E-004 atm-m3/mole (4.372E+001 Pa-m3/mole)

VP: 0.026 mm Hg (source: MPBPVP)

WS: 16.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.97 (KowWin est)

Log Kaw used: -1.999 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.969

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.2498

Biowin2 (Non-Linear Model) : 0.0002

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0982 (months )

Biowin4 (Primary Survey Model) : 3.0800 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4273

Biowin6 (MITI Non-Linear Model): 0.2364

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.3702

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): 6.12 Pa (0.0459 mm Hg)

Log Koa (Koawin est ): 5.969

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

Mackay model : 4.9E-007

Octanol/air (Koa) model: 2.29E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.77E-005

Mackay model : 3.92E-005

Octanol/air (Koa) model: 1.83E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 72.0551 E-12 cm3/molecule-sec

Half-Life = 0.148 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.781 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec

Half-Life = 1.007 Days (at 7E11 mol/cm3)

Half-Life = 24.179 Hrs

Fraction sorbed to airborne particulates (phi):

2.85E-005 (Junge-Pankow, Mackay avg)

1.83E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2318 L/kg (MCI method)

Log Koc: 3.365 (MCI method)

Koc : 1073 L/kg (Kow method)

Log Koc: 3.030 (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 = 2.290 (BCF = 194.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3115 days (HL = 2.049 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.663 (BCF = 460)

Log BAF Arnot-Gobas method (upper trophic) = 2.664 (BAF = 460.9)

log Kow used: 3.97 (estimated)

Volatilization from Water:

Henry LC: 0.000245 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.898 hours

Half-Life from Model Lake : 173.9 hours (7.245 days)

Removal In Wastewater Treatment:

Total removal: 35.00 percent

Total biodegradation: 0.29 percent

Total sludge adsorption: 27.27 percent

Total to Air: 7.44 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.155 3.1 1000

Water 8.79 1.44e+003 1000

Soil 89.6 2.88e+003 1000

Sediment 1.43 1.3e+004 0

Persistence Time: 1.41e+003 hr

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