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CAS Number: 58437-72-2


CHEM : Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, (Z)-

MOL FOR: C11 H18 O1

MOL WT : 166.27

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 3.29

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

Boiling Pt (deg C): 251.89 (Adapted Stein & Brown method)

Melting Pt (deg C): 48.59 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00171 (Modified Grain method)

VP (Pa, 25 deg C) : 0.228 (Modified Grain method)

Subcooled liquid VP: 0.00281 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 318.1

log Kow used: 3.29 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 343.24 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 9.24E-006 atm-m3/mole (9.36E-001 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: 1.176E-006 atm-m3/mole (1.192E-001 Pa-m3/mole)

VP: 0.00171 mm Hg (source: MPBPVP)

WS: 318 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.29 (KowWin est)

Log Kaw used: -3.423 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.713

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6432

Biowin2 (Non-Linear Model) : 0.5106

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7796 (weeks )

Biowin4 (Primary Survey Model) : 3.5839 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5868

Biowin6 (MITI Non-Linear Model): 0.5191

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1468

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.375 Pa (0.00281 mm Hg)

Log Koa (Koawin est ): 6.713

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

Mackay model : 8.01E-006

Octanol/air (Koa) model: 1.27E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000289

Mackay model : 0.00064

Octanol/air (Koa) model: 0.000101

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 95.7119 E-12 cm3/molecule-sec

Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.341 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec

Half-Life = 0.155 Days (at 7E11 mol/cm3)

Half-Life = 3.720 Hrs

Fraction sorbed to airborne particulates (phi):

0.000465 (Junge-Pankow, Mackay avg)

0.000101 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 170.6 L/kg (MCI method)

Log Koc: 2.232 (MCI method)

Koc : 215.5 L/kg (Kow method)

Log Koc: 2.333 (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 = 1.841 (BCF = 69.34 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2641 days (HL = 1.837 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.216 (BCF = 164.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.216 (BAF = 164.6)

log Kow used: 3.29 (estimated)

Volatilization from Water:

Henry LC: 9.24E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 83.02 hours (3.459 days)

Half-Life from Model Lake : 1014 hours (42.24 days)

Removal In Wastewater Treatment:

Total removal: 9.52 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 8.89 percent

Total to Air: 0.48 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.175 1.56 1000

Water 26.5 360 1000

Soil 73.1 720 1000

Sediment 0.225 3.24e+003 0

Persistence Time: 439 hr

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