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CAS Num: 060763-41-9

SMILES : O(C(OCC)C(=Cc(cccc1)c1)CCCCC)CC

CHEM : Benzene, [2-(diethoxymethyl)-1-heptenyl]-

MOL FOR: C18 H28 O2

MOL WT : 276.42

------------------------------ 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) = 5.70

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

Boiling Pt (deg C): 343.19 (Adapted Stein & Brown method)

Melting Pt (deg C): 63.91 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.28E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.011 (Modified Grain method)

Subcooled liquid VP: 0.000191 mm Hg (25 deg C, Mod-Grain method)

: 0.0255 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.2275

log Kow used: 5.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.6784 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 : 2.55E-005 atm-m3/mole (2.59E+000 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: 1.324E-004 atm-m3/mole (1.341E+001 Pa-m3/mole)

VP: 8.28E-005 mm Hg (source: MPBPVP)

WS: 0.228 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.70 (KowWin est)

Log Kaw used: -2.982 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.682

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1577

Biowin2 (Non-Linear Model) : 0.0158

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8913 (weeks )

Biowin4 (Primary Survey Model) : 3.7034 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1871

Biowin6 (MITI Non-Linear Model): 0.0756

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5773

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): 0.0255 Pa (0.000191 mm Hg)

Log Koa (Koawin est ): 8.682

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

Mackay model : 0.000118

Octanol/air (Koa) model: 0.000118

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00424

Mackay model : 0.00934

Octanol/air (Koa) model: 0.00935

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 113.4714 E-12 cm3/molecule-sec

Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.131 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec

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

Half-Life = 18.599 Min

Fraction sorbed to airborne particulates (phi):

0.00679 (Junge-Pankow, Mackay avg)

0.00935 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9371 L/kg (MCI method)

Log Koc: 3.972 (MCI method)

Koc : 7884 L/kg (Kow method)

Log Koc: 3.897 (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 = 3.428 (BCF = 2680 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5828 days (HL = 3.826 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.136 (BCF = 1369)

Log BAF Arnot-Gobas method (upper trophic) = 3.266 (BAF = 1844)

log Kow used: 5.70 (estimated)

Volatilization from Water:

Henry LC: 2.55E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 39.87 hours (1.661 days)

Half-Life from Model Lake : 574.4 hours (23.93 days)

Removal In Wastewater Treatment:

Total removal: 90.35 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 89.54 percent

Total to Air: 0.06 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0293 0.273 1000

Water 21.7 360 1000

Soil 72.3 720 1000

Sediment 5.94 3.24e+003 0

Persistence Time: 478 hr

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