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CAS Number: 89079-92-5


CHEM : 1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-

MOL FOR: C14 H22 O1

MOL WT : 206.33

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 5.03

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

Boiling Pt (deg C): 256.04 (Adapted Stein & Brown method)

Melting Pt (deg C): 38.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0242 (Modified Grain method)

VP (Pa, 25 deg C) : 3.22 (Modified Grain method)

Subcooled liquid VP: 0.0321 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 2.055

log Kow used: 5.03 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18.634 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: 3.197E-003 atm-m3/mole (3.239E+002 Pa-m3/mole)

VP: 0.0242 mm Hg (source: MPBPVP)

WS: 2.06 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.03 (KowWin est)

Log Kaw used: -0.727 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.757

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1180

Biowin2 (Non-Linear Model) : 0.0062

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5224 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3869 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2013

Biowin6 (MITI Non-Linear Model): 0.0541

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6212

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): 4.28 Pa (0.0321 mm Hg)

Log Koa (Koawin est ): 5.757

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

Mackay model : 7.01E-007

Octanol/air (Koa) model: 1.4E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.53E-005

Mackay model : 5.61E-005

Octanol/air (Koa) model: 1.12E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 168.5882 E-12 cm3/molecule-sec

Half-Life = 0.063 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.761 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 44.137501 E-17 cm3/molecule-sec

Half-Life = 0.026 Days (at 7E11 mol/cm3)

Half-Life = 37.389 Min

Fraction sorbed to airborne particulates (phi):

4.07E-005 (Junge-Pankow, Mackay avg)

1.12E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2481 L/kg (MCI method)

Log Koc: 3.395 (MCI method)

Koc : 4138 L/kg (Kow method)

Log Koc: 3.617 (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 = 2.986 (BCF = 967.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.1092 days (HL = 12.86 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.513 (BCF = 3261)

Log BAF Arnot-Gobas method (upper trophic) = 3.721 (BAF = 5259)

log Kow used: 5.03 (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: 86.26 percent

Total biodegradation: 0.49 percent

Total sludge adsorption: 67.36 percent

Total to Air: 18.41 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0752 0.442 1000

Water 14.3 900 1000

Soil 83.6 1.8e+003 1000

Sediment 2.01 8.1e+003 0

Persistence Time: 567 hr

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