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CAS Num: 073545-19-4

SMILES : CCCC=CCCCCC(OCC)OCC

CHEM : 4-Decene, 1,1-diethoxy-, (Z)-

MOL FOR: C14 H28 O2

MOL WT : 228.38

------------------------------ 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) = 4.92

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

Boiling Pt (deg C): 273.57 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0131 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.74 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.957

log Kow used: 4.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.8307 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.00E-003 atm-m3/mole (1.02E+002 Pa-m3/mole)

Group Method: 4.15E-004 atm-m3/mole (4.21E+001 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: 2.012E-003 atm-m3/mole (2.038E+002 Pa-m3/mole)

VP: 0.0131 mm Hg (source: MPBPVP)

WS: 1.96 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.92 (KowWin est)

Log Kaw used: -1.388 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.308

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0525

Biowin2 (Non-Linear Model) : 0.0052

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9755 (weeks )

Biowin4 (Primary Survey Model) : 3.7678 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3939

Biowin6 (MITI Non-Linear Model): 0.3036

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3398

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): 1.8 Pa (0.0135 mm Hg)

Log Koa (Koawin est ): 6.308

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

Mackay model : 1.67E-006

Octanol/air (Koa) model: 4.99E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.02E-005

Mackay model : 0.000133

Octanol/air (Koa) model: 3.99E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 85.3332 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 92.9332 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.504 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.381 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

9.68E-005 (Junge-Pankow, Mackay avg)

3.99E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 884.6 L/kg (MCI method)

Log Koc: 2.947 (MCI method)

Koc : 2919 L/kg (Kow method)

Log Koc: 3.465 (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 = 2.912 (BCF = 817.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3119 days (HL = 2.051 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.884 (BCF = 766)

Log BAF Arnot-Gobas method (upper trophic) = 2.892 (BAF = 779.7)

log Kow used: 4.92 (estimated)

Volatilization from Water:

Henry LC: 0.001 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.427 hours

Half-Life from Model Lake : 153.2 hours (6.383 days)

Removal In Wastewater Treatment:

Total removal: 78.32 percent

Total biodegradation: 0.59 percent

Total sludge adsorption: 70.49 percent

Total to Air: 7.24 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.258 1.24 1000

Water 19.1 360 1000

Soil 80 720 1000

Sediment 0.605 3.24e+003 0

Persistence Time: 357 hr

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