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CAS Num: 079893-63-3


CHEM : 1-Oxaspiro[4.5]deca-3,6-diene, 6-ethyl-2,10,10-trimethyl-

MOL FOR: C14 H22 O1

MOL WT : 206.33

------------------------------ 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) = 5.07

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

Boiling Pt (deg C): 257.33 (Adapted Stein & Brown method)

Melting Pt (deg C): 51.18 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0173 (Modified Grain method)

VP (Pa, 25 deg C) : 2.31 (Modified Grain method)

Subcooled liquid VP: 0.0301 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.915

log Kow used: 5.07 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 16.329 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 : 4.59E-003 atm-m3/mole (4.65E+002 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: 2.453E-003 atm-m3/mole (2.485E+002 Pa-m3/mole)

VP: 0.0173 mm Hg (source: MPBPVP)

WS: 1.92 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.07 (KowWin est)

Log Kaw used: -0.727 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.797

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0659

Biowin2 (Non-Linear Model) : 0.0011

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3103 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2334 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3565

Biowin6 (MITI Non-Linear Model): 0.1414

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8031

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): 4.01 Pa (0.0301 mm Hg)

Log Koa (Koawin est ): 5.797

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

Mackay model : 7.48E-007

Octanol/air (Koa) model: 1.54E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.7E-005

Mackay model : 5.98E-005

Octanol/air (Koa) model: 1.23E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 155.0388 E-12 cm3/molecule-sec

Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.828 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 8.531250 E-17 cm3/molecule-sec

Half-Life = 0.134 Days (at 7E11 mol/cm3)

Half-Life = 3.224 Hrs

Fraction sorbed to airborne particulates (phi):

4.34E-005 (Junge-Pankow, Mackay avg)

1.23E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2433 L/kg (MCI method)

Log Koc: 3.386 (MCI method)

Koc : 4354 L/kg (Kow method)

Log Koc: 3.639 (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 = 3.009 (BCF = 1022 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0246 days (HL = 10.58 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.468 (BCF = 2939)

Log BAF Arnot-Gobas method (upper trophic) = 3.640 (BAF = 4370)

log Kow used: 5.07 (estimated)

Volatilization from Water:

Henry LC: 0.00459 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.649 hours

Half-Life from Model Lake : 138.4 hours (5.768 days)

Removal In Wastewater Treatment:

Total removal: 86.72 percent

Total biodegradation: 0.50 percent

Total sludge adsorption: 68.84 percent

Total to Air: 17.38 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.186 1.09 1000

Water 14.4 900 1000

Soil 83.4 1.8e+003 1000

Sediment 1.98 8.1e+003 0

Persistence Time: 564 hr

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