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CAS Number: 79930-37-3

SMILES : COC=CCCCCCCCC

CHEM : 1-methoxydec-1-ene

MOL FOR: C11 H22 O1

MOL WT : 170.30

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 4.27

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

Boiling Pt (deg C): 212.47 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.94 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.284 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 37.9 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 13.78

log Kow used: 4.27 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 42.086 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 : 6.53E-002 atm-m3/mole (6.61E+003 Pa-m3/mole)

Group Method: 5.48E-002 atm-m3/mole (5.55E+003 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: 4.618E-003 atm-m3/mole (4.679E+002 Pa-m3/mole)

VP: 0.284 mm Hg (source: MPBPVP)

WS: 13.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.27 (KowWin est)

Log Kaw used: 0.426 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.844

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4275

Biowin2 (Non-Linear Model) : 0.2699

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1125 (weeks )

Biowin4 (Primary Survey Model) : 3.8614 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5661

Biowin6 (MITI Non-Linear Model): 0.6467

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1368

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): 35.2 Pa (0.264 mm Hg)

Log Koa (Koawin est ): 3.844

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

Mackay model : 8.52E-008

Octanol/air (Koa) model: 1.71E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.08E-006

Mackay model : 6.82E-006

Octanol/air (Koa) model: 1.37E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 83.6798 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 93.5598 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.534 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.372 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.843750 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 5.687500 E-17 cm3/molecule-sec [Trans-]

Half-Life = 9.672 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 4.836 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

4.95E-006 (Junge-Pankow, Mackay avg)

1.37E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 647.6 L/kg (MCI method)

Log Koc: 2.811 (MCI method)

Koc : 1572 L/kg (Kow method)

Log Koc: 3.196 (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 = 1.111 (BCF = 12.92 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2073 days (HL = 1.612 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.701 (BCF = 501.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.702 (BAF = 503.2)

log Kow used: 4.27 (estimated)

Volatilization from Water:

Henry LC: 0.0548 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.346 hours

Half-Life from Model Lake : 124.1 hours (5.171 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.45 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 26.64 percent

Total to Air: 69.71 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.93 2.33 1000

Water 69.7 360 1000

Soil 25.7 720 1000

Sediment 1.7 3.24e+003 0

Persistence Time: 88.4 hr

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