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CAS Num: 040267-72-9


CHEM : 2,6-Octadiene, 1-ethoxy-3,7-dimethyl-

MOL FOR: C12 H22 O1

MOL WT : 182.31

------------------------------ 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) = 4.66

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

Boiling Pt (deg C): 226.94 (Adapted Stein & Brown method)

Melting Pt (deg C): -22.58 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.14 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 18.7 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 5.618

log Kow used: 4.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 78.172 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 : 1.58E-002 atm-m3/mole (1.60E+003 Pa-m3/mole)

Group Method: 2.08E-003 atm-m3/mole (2.11E+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: 5.978E-003 atm-m3/mole (6.057E+002 Pa-m3/mole)

VP: 0.14 mm Hg (source: MPBPVP)

WS: 5.62 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.66 (KowWin est)

Log Kaw used: -0.190 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.850

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3134

Biowin2 (Non-Linear Model) : 0.0470

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7876 (weeks )

Biowin4 (Primary Survey Model) : 3.5750 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3829

Biowin6 (MITI Non-Linear Model): 0.2706

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2175

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): 17.6 Pa (0.132 mm Hg)

Log Koa (Koawin est ): 4.850

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

Mackay model : 1.7E-007

Octanol/air (Koa) model: 1.74E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.16E-006

Mackay model : 1.36E-005

Octanol/air (Koa) model: 1.39E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 188.3764 E-12 cm3/molecule-sec

Half-Life = 0.057 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.681 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):

9.9E-006 (Junge-Pankow, Mackay avg)

1.39E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 873.9 L/kg (MCI method)

Log Koc: 2.941 (MCI method)

Koc : 2583 L/kg (Kow method)

Log Koc: 3.412 (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 = 2.742 (BCF = 552 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6794 days (HL = 4.78 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.136 (BCF = 1367)

Log BAF Arnot-Gobas method (upper trophic) = 3.156 (BAF = 1433)

log Kow used: 4.66 (estimated)

Volatilization from Water:

Henry LC: 0.00208 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.758 hours

Half-Life from Model Lake : 132.4 hours (5.516 days)

Removal In Wastewater Treatment:

Total removal: 74.80 percent

Total biodegradation: 0.44 percent

Total sludge adsorption: 56.00 percent

Total to Air: 18.36 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0692 0.259 1000

Water 21 360 1000

Soil 78.2 720 1000

Sediment 0.66 3.24e+003 0

Persistence Time: 310 hr

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