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CAS Num: 041816-03-9

SMILES : O(C1(C(C(C(C23)CC=C4C)C4)C3)C2)C1C

CHEM : Spiro[1,4-methanonaphthalene-2(1H),2 -oxirane], 3,4,4a,5,8,8a-hexahyd

ro-3 ,7-dimethyl-

MOL FOR: C14 H20 O1

MOL WT : 204.31

------------------------------ 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) = 3.85

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

Boiling Pt (deg C): 260.26 (Adapted Stein & Brown method)

Melting Pt (deg C): 58.16 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0128 (Modified Grain method)

VP (Pa, 25 deg C) : 1.71 (Modified Grain method)

Subcooled liquid VP: 0.0261 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 21.56

log Kow used: 3.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.2998 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 3.21E-004 atm-m3/mole (3.25E+001 Pa-m3/mole)

Group Method: 5.11E-006 atm-m3/mole (5.18E-001 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: 1.596E-004 atm-m3/mole (1.617E+001 Pa-m3/mole)

VP: 0.0128 mm Hg (source: MPBPVP)

WS: 21.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.85 (KowWin est)

Log Kaw used: -1.882 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.732

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1190

Biowin2 (Non-Linear Model) : 0.0064

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5269 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3898 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3215

Biowin6 (MITI Non-Linear Model): 0.0621

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2709

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): 3.48 Pa (0.0261 mm Hg)

Log Koa (Koawin est ): 5.732

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

Mackay model : 8.62E-007

Octanol/air (Koa) model: 1.32E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.11E-005

Mackay model : 6.9E-005

Octanol/air (Koa) model: 1.06E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 103.7887 E-12 cm3/molecule-sec

Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.237 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

5E-005 (Junge-Pankow, Mackay avg)

1.06E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3050 L/kg (MCI method)

Log Koc: 3.484 (MCI method)

Koc : 920.6 L/kg (Kow method)

Log Koc: 2.964 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 4.964E-002 L/mol-sec

Ka Half-Life at pH 7: 4.425 years

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.205 (BCF = 160.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6995 days (HL = 5.006 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.737 (BCF = 545.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.740 (BAF = 549.7)

log Kow used: 3.85 (estimated)

Volatilization from Water:

Henry LC: 0.000321 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.066 hours

Half-Life from Model Lake : 164.2 hours (6.842 days)

Removal In Wastewater Treatment:

Total removal: 32.39 percent

Total biodegradation: 0.25 percent

Total sludge adsorption: 22.23 percent

Total to Air: 9.92 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0384 0.508 1000

Water 11.1 900 1000

Soil 86.9 1.8e+003 1000

Sediment 1.94 8.1e+003 0

Persistence Time: 943 hr

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