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CAS Number: 85710-39-0

SMILES : CC1CCC2C1C3C(C3(C)C)CCC24CO4

CHEM : (1aR,4S,4aR,7R,7aS,7bS)-1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octah

ydro-1aH-cyclopropa[e]azulene-4,2'-oxirane]

MOL FOR: C15 H24 O1

MOL WT : 220.36

------------------------------ EPI SUMMARY (v4.00) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.73

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

Boiling Pt (deg C): 262.57 (Adapted Stein & Brown method)

Melting Pt (deg C): 64.95 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00983 (Modified Grain method)

VP (Pa, 25 deg C) : 1.31 (Modified Grain method)

Subcooled liquid VP: 0.0233 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 3.143

log Kow used: 4.73 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.8291 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 4.10E-004 atm-m3/mole (4.15E+001 Pa-m3/mole)

Group Method: 2.28E-005 atm-m3/mole (2.31E+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: 9.068E-004 atm-m3/mole (9.189E+001 Pa-m3/mole)

VP: 0.00983 mm Hg (source: MPBPVP)

WS: 3.14 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.73 (KowWin est)

Log Kaw used: -1.776 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.506

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0726

Biowin2 (Non-Linear Model) : 0.0009

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2793 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2132 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3554

Biowin6 (MITI Non-Linear Model): 0.0723

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7312

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): 3.11 Pa (0.0233 mm Hg)

Log Koa (Koawin est ): 6.506

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

Mackay model : 9.66E-007

Octanol/air (Koa) model: 7.87E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.49E-005

Mackay model : 7.72E-005

Octanol/air (Koa) model: 6.3E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.8962 E-12 cm3/molecule-sec

Half-Life = 0.770 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.236 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.61E-005 (Junge-Pankow, Mackay avg)

6.3E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4681 L/kg (MCI method)

Log Koc: 3.670 (MCI method)

Koc : 2824 L/kg (Kow method)

Log Koc: 3.451 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 1.849E-002 L/mol-sec

Ka Half-Life at pH 7: 11.877 years

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.786 (BCF = 611.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8732 days (HL = 7.468 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.280 (BCF = 1905)

Log BAF Arnot-Gobas method (upper trophic) = 3.331 (BAF = 2142)

log Kow used: 4.73 (estimated)

Volatilization from Water:

Henry LC: 0.00041 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.635 hours

Half-Life from Model Lake : 164.1 hours (6.838 days)

Removal In Wastewater Treatment:

Total removal: 69.96 percent

Total biodegradation: 0.57 percent

Total sludge adsorption: 64.57 percent

Total to Air: 4.82 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.09 18.5 1000

Water 10.4 900 1000

Soil 85.7 1.8e+003 1000

Sediment 2.8 8.1e+003 0

Persistence Time: 967 hr

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