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CAS Num: 002565-82-4


CHEM : 2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (E)-

MOL FOR: C11 H20 O1

MOL WT : 168.28

------------------------------ 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) = 4.17

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

Boiling Pt (deg C): 207.85 (Adapted Stein & Brown method)

Melting Pt (deg C): -33.79 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.356 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 47.4 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 17.23

log Kow used: 4.17 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 248.49 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ethers

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

Bond Method : 1.19E-002 atm-m3/mole (1.21E+003 Pa-m3/mole)

Group Method: 1.54E-003 atm-m3/mole (1.56E+002 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: 4.575E-003 atm-m3/mole (4.636E+002 Pa-m3/mole)

VP: 0.356 mm Hg (source: MPBPVP)

WS: 17.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.17 (KowWin est)

Log Kaw used: -0.313 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.483

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3201

Biowin2 (Non-Linear Model) : 0.0568

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8186 (weeks )

Biowin4 (Primary Survey Model) : 3.5952 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3752

Biowin6 (MITI Non-Linear Model): 0.2657

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1915

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): 43.9 Pa (0.329 mm Hg)

Log Koa (Koawin est ): 4.483

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

Mackay model : 6.84E-008

Octanol/air (Koa) model: 7.46E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.47E-006

Mackay model : 5.47E-006

Octanol/air (Koa) model: 5.97E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 183.0326 E-12 cm3/molecule-sec

Half-Life = 0.058 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.701 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec

Half-Life = 0.013 Days (at 7E11 mol/cm3)

Half-Life = 19.189 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

3.97E-006 (Junge-Pankow, Mackay avg)

5.97E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 479.5 L/kg (MCI method)

Log Koc: 2.681 (MCI method)

Koc : 1384 L/kg (Kow method)

Log Koc: 3.141 (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 v3.00):

Log BCF from regression-based method = 2.418 (BCF = 261.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5402 days (HL = 3.469 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.871 (BCF = 743.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.875 (BAF = 750.2)

log Kow used: 4.17 (estimated)

Volatilization from Water:

Henry LC: 0.00154 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.817 hours

Half-Life from Model Lake : 128.6 hours (5.358 days)

Removal In Wastewater Treatment:

Total removal: 58.17 percent

Total biodegradation: 0.29 percent

Total sludge adsorption: 32.83 percent

Total to Air: 25.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0774 0.261 1000

Water 23.1 360 1000

Soil 76.4 720 1000

Sediment 0.439 3.24e+003 0

Persistence Time: 287 hr

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