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CAS Number: 107-25-5
SMILES : O(C=C)C
CHEM : Ethene, methoxy-
MOL FOR: C3 H6 O1
MOL WT : 58.08
------------------------------ EPI SUMMARY (v4.11) --------------------------
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 v1.68 estimate) = 0.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 18.61 (Adapted Stein & Brown method)
Melting Pt (deg C): -115.96 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.48E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.98E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -122 deg C
BP (exp database): 5.5 deg C
VP (exp database): 1.32E+03 mm Hg (1.76E+005 Pa) at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5.985e+004
log Kow used: 0.42 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1.5e+004 mg/L (20 deg C)
Exper. Ref: HORT,EV (1978)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.3277e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.73E-003 atm-m3/mole (5.81E+002 Pa-m3/mole)
Group Method: 4.15E-003 atm-m3/mole (4.21E+002 Pa-m3/mole)
Exper Database: 6.71E-03 atm-m3/mole (6.80E+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: 9.704E-004 atm-m3/mole (9.833E+001 Pa-m3/mole)
VP: 1.48E+003 mm Hg (source: MPBPVP)
WS: 5.99E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.42 (KowWin est)
Log Kaw used: -0.562 (exp database)
Log Koa (KOAWIN v1.10 estimate): 0.982
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3725
Biowin2 (Non-Linear Model) : 0.2235
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0621 (weeks )
Biowin4 (Primary Survey Model) : 3.7542 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5598
Biowin6 (MITI Non-Linear Model): 0.6999
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2787
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): 1.76E+005 Pa (1.32E+003 mm Hg)
Log Koa (Koawin est ): 0.982
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.7E-011
Octanol/air (Koa) model: 2.36E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.16E-010
Mackay model : 1.36E-009
Octanol/air (Koa) model: 1.88E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.0196 E-12 cm3/molecule-sec
Half-Life = 0.305 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.665 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.875000 E-17 cm3/molecule-sec
Half-Life = 1.310 Days (at 7E11 mol/cm3)
Half-Life = 31.433 Hrs
Fraction sorbed to airborne particulates (phi):
9.9E-010 (Junge-Pankow, Mackay avg)
1.88E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.322 L/kg (MCI method)
Log Koc: 0.726 (MCI method)
Koc : 11.66 L/kg (Kow method)
Log Koc: 1.067 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0380 days (HL = 0.09162 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.047 (BCF = 1.114)
Log BAF Arnot-Gobas method (upper trophic) = 0.047 (BAF = 1.114)
log Kow used: 0.42 (estimated)
Volatilization from Water:
Henry LC: 0.00671 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 0.8442 hours (50.65 min)
Half-Life from Model Lake : 73.11 hours (3.046 days)
Removal In Wastewater Treatment:
Total removal: 72.67 percent
Total biodegradation: 0.04 percent
Total sludge adsorption: 0.67 percent
Total to Air: 71.96 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 8.76 6.16 1000
Water 83.5 360 1000
Soil 7.58 720 1000
Sediment 0.172 3.24e+003 0
Persistence Time: 75.5 hr