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CAS Num: 014049-11-7

SMILES : O(C(C=C)(CCC1O)C)C1(C)C

CHEM : 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-

MOL FOR: C10 H18 O2

MOL WT : 170.25

------------------------------ 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) = 1.99

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

Boiling Pt (deg C): 232.83 (Adapted Stein & Brown method)

Melting Pt (deg C): 41.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00639 (Modified Grain method)

VP (Pa, 25 deg C) : 0.852 (Modified Grain method)

Subcooled liquid VP: 0.00911 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 3992

log Kow used: 1.99 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 15994 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 : 1.26E-008 atm-m3/mole (1.27E-003 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: 3.586E-007 atm-m3/mole (3.633E-002 Pa-m3/mole)

VP: 0.00639 mm Hg (source: MPBPVP)

WS: 3.99E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.99 (KowWin est)

Log Kaw used: -6.288 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.278

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1100

Biowin2 (Non-Linear Model) : 0.0057

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5500 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4149 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5752

Biowin6 (MITI Non-Linear Model): 0.4484

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6167

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): 1.21 Pa (0.00911 mm Hg)

Log Koa (Koawin est ): 8.278

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

Mackay model : 2.47E-006

Octanol/air (Koa) model: 4.66E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.92E-005

Mackay model : 0.000198

Octanol/air (Koa) model: 0.00371

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 62.5329 E-12 cm3/molecule-sec

Half-Life = 0.171 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.053 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.000143 (Junge-Pankow, Mackay avg)

0.00371 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 16.71 L/kg (MCI method)

Log Koc: 1.223 (MCI method)

Koc : 33.4 L/kg (Kow method)

Log Koc: 1.524 (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 = 0.978 (BCF = 9.499 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8078 days (HL = 0.1557 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.943 (BCF = 8.769)

Log BAF Arnot-Gobas method (upper trophic) = 0.943 (BAF = 8.769)

log Kow used: 1.99 (estimated)

Volatilization from Water:

Henry LC: 1.26E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.063E+004 hours (2526 days)

Half-Life from Model Lake : 6.615E+005 hours (2.756E+004 days)

Removal In Wastewater Treatment:

Total removal: 2.24 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.14 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0914 4 1000

Water 33.5 900 1000

Soil 66.3 1.8e+003 1000

Sediment 0.0906 8.1e+003 0

Persistence Time: 984 hr

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