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CAS Num: 082461-14-1

SMILES : CC1CC(c2ccccc2)(C)CO1

CHEM : Furan, tetrahydro-2,4-dimethyl-4-phenyl-

MOL FOR: C12 H16 O1

MOL WT : 176.26

------------------------------ 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) = 3.44

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

Boiling Pt (deg C): 244.24 (Adapted Stein & Brown method)

Melting Pt (deg C): 32.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0308 (Modified Grain method)

VP (Pa, 25 deg C) : 4.11 (Modified Grain method)

Subcooled liquid VP: 0.0357 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 65.97

log Kow used: 3.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 138.23 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.20E-005 atm-m3/mole (1.22E+000 Pa-m3/mole)

Group Method: 4.77E-006 atm-m3/mole (4.83E-001 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: 1.083E-004 atm-m3/mole (1.097E+001 Pa-m3/mole)

VP: 0.0308 mm Hg (source: MPBPVP)

WS: 66 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.44 (KowWin est)

Log Kaw used: -3.309 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.749

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2604

Biowin2 (Non-Linear Model) : 0.0548

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6109 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4351 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3507

Biowin6 (MITI Non-Linear Model): 0.2162

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3741

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): 4.76 Pa (0.0357 mm Hg)

Log Koa (Koawin est ): 6.749

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

Mackay model : 6.3E-007

Octanol/air (Koa) model: 1.38E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.28E-005

Mackay model : 5.04E-005

Octanol/air (Koa) model: 0.00011

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.3354 E-12 cm3/molecule-sec

Half-Life = 0.553 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.638 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.66E-005 (Junge-Pankow, Mackay avg)

0.00011 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 919.3 L/kg (MCI method)

Log Koc: 2.963 (MCI method)

Koc : 546.1 L/kg (Kow method)

Log Koc: 2.737 (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 = 1.938 (BCF = 86.73 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2565 days (HL = 0.554 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.112 (BCF = 129.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.112 (BAF = 129.4)

log Kow used: 3.44 (estimated)

Volatilization from Water:

Henry LC: 1.2E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 66.13 hours (2.755 days)

Half-Life from Model Lake : 832.7 hours (34.7 days)

Removal In Wastewater Treatment:

Total removal: 12.29 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 11.53 percent

Total to Air: 0.60 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.552 13.3 1000

Water 17.7 900 1000

Soil 80.9 1.8e+003 1000

Sediment 0.901 8.1e+003 0

Persistence Time: 1.03e+003 hr

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