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CAS Num: 032214-91-8

SMILES : O=C(OC(C(=CCC(C(C(C1)=C)C2)C2(C)C)C)C1)C

CHEM : Bicyclo[7.2.0]undec-3-en-5-ol, 4,11,11-trimethyl-8-methylene-, acetat

e

MOL FOR: C17 H26 O2

MOL WT : 262.40

------------------------------ 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) = 5.77

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

Boiling Pt (deg C): 317.66 (Adapted Stein & Brown method)

Melting Pt (deg C): 91.50 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000173 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0231 (Modified Grain method)

Subcooled liquid VP: 0.00076 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.2388

log Kow used: 5.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.79414 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 1.64E-003 atm-m3/mole (1.67E+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: 2.501E-004 atm-m3/mole (2.534E+001 Pa-m3/mole)

VP: 0.000173 mm Hg (source: MPBPVP)

WS: 0.239 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.77 (KowWin est)

Log Kaw used: -1.174 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.944

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6129

Biowin2 (Non-Linear Model) : 0.8374

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5474 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5447 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4793

Biowin6 (MITI Non-Linear Model): 0.1849

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2269

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): 0.101 Pa (0.00076 mm Hg)

Log Koa (Koawin est ): 6.944

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

Mackay model : 2.96E-005

Octanol/air (Koa) model: 2.16E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00107

Mackay model : 0.00236

Octanol/air (Koa) model: 0.000173

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 148.5696 E-12 cm3/molecule-sec

Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.864 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 44.200001 E-17 cm3/molecule-sec

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

Half-Life = 37.336 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00172 (Junge-Pankow, Mackay avg)

0.000173 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7855 L/kg (MCI method)

Log Koc: 3.895 (MCI method)

Koc : 1.125E+004 L/kg (Kow method)

Log Koc: 4.051 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.069E-002 L/mol-sec

Kb Half-Life at pH 8: 261.386 days

Kb Half-Life at pH 7: 7.156 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.473 (BCF = 2974 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8516 days (HL = 7.105 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.374 (BCF = 2367)

Log BAF Arnot-Gobas method (upper trophic) = 3.724 (BAF = 5294)

log Kow used: 5.77 (estimated)

Volatilization from Water:

Henry LC: 0.00164 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.231 hours

Half-Life from Model Lake : 160.2 hours (6.674 days)

Removal In Wastewater Treatment:

Total removal: 91.31 percent

Total biodegradation: 0.73 percent

Total sludge adsorption: 88.51 percent

Total to Air: 2.07 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0388 0.458 1000

Water 9.37 900 1000

Soil 86.4 1.8e+003 1000

Sediment 4.15 8.1e+003 0

Persistence Time: 914 hr

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