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CAS Num: 006931-54-0

SMILES : O(C1(C(CC2C3)C2(C)C)C3)C1

CHEM : Spiro bicyclo 3.1.1 heptane-2,2'-oxirane , 6,6-dimethyl-

MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ 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) = 2.95

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

Boiling Pt (deg C): 173.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 20.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.75 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 234 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 225.5

log Kow used: 2.95 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 337.84 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 2.25E-004 atm-m3/mole (2.28E+001 Pa-m3/mole)

Group Method: 2.03E-005 atm-m3/mole (2.06E+000 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: 1.555E-003 atm-m3/mole (1.575E+002 Pa-m3/mole)

VP: 1.75 mm Hg (source: MPBPVP)

WS: 226 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.95 (KowWin est)

Log Kaw used: -2.036 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.986

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0402

Biowin2 (Non-Linear Model) : 0.0024

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4298 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3115 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5006

Biowin6 (MITI Non-Linear Model): 0.3888

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6499

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): 213 Pa (1.6 mm Hg)

Log Koa (Koawin est ): 4.986

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

Mackay model : 1.41E-008

Octanol/air (Koa) model: 2.38E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.08E-007

Mackay model : 1.12E-006

Octanol/air (Koa) model: 1.9E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.4501 E-12 cm3/molecule-sec

Half-Life = 1.024 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.282 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.16E-007 (Junge-Pankow, Mackay avg)

1.9E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 259.2 L/kg (MCI method)

Log Koc: 2.414 (MCI method)

Koc : 292.6 L/kg (Kow method)

Log Koc: 2.466 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Ka (acid-catalyzed) at 25 deg C : 7.966E-002 L/mol-sec

Ka Half-Life at pH 7: 2.757 years

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.612 (BCF = 40.89 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0936 days (HL = 0.806 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.865 (BCF = 73.28)

Log BAF Arnot-Gobas method (upper trophic) = 1.865 (BAF = 73.28)

log Kow used: 2.95 (estimated)

Volatilization from Water:

Henry LC: 0.000225 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.47 hours

Half-Life from Model Lake : 152.2 hours (6.342 days)

Removal In Wastewater Treatment:

Total removal: 14.34 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.88 percent

Total to Air: 9.35 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.03 24.6 1000

Water 16.8 900 1000

Soil 80.9 1.8e+003 1000

Sediment 0.248 8.1e+003 0

Persistence Time: 721 hr

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