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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