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CAS Number: 109-92-2
SMILES : O(C=C)CC
CHEM : Ethene, ethoxy-
MOL FOR: C4 H8 O1
MOL WT : 72.11
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 0.91
Log Kow (Exper. database match) = 1.04
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 45.07 (Adapted Stein & Brown method)
Melting Pt (deg C): -102.60 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 522 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 6.96E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -115.8 deg C
BP (exp database): 35.5 deg C
VP (exp database): 5.11E+02 mm Hg (6.81E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.741e+004
log Kow used: 1.04 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+004 mg/L (37 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 47866 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 : 7.61E-003 atm-m3/mole (7.71E+002 Pa-m3/mole)
Group Method: 5.60E-003 atm-m3/mole (5.68E+002 Pa-m3/mole)
Exper Database: 5.39E-03 atm-m3/mole (5.46E+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: 2.845E-003 atm-m3/mole (2.883E+002 Pa-m3/mole)
VP: 522 mm Hg (source: MPBPVP)
WS: 1.74E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.04 (exp database)
Log Kaw used: -0.657 (exp database)
Log Koa (KOAWIN v1.10 estimate): 1.697
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3659
Biowin2 (Non-Linear Model) : 0.1908
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0312 (weeks )
Biowin4 (Primary Survey Model) : 3.7340 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5675
Biowin6 (MITI Non-Linear Model): 0.7050
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3047
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): 6.81E+004 Pa (511 mm Hg)
Log Koa (Koawin est ): 1.697
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.4E-011
Octanol/air (Koa) model: 1.22E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.59E-009
Mackay model : 3.52E-009
Octanol/air (Koa) model: 9.77E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.3634 E-12 cm3/molecule-sec
Half-Life = 0.265 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.180 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):
2.56E-009 (Junge-Pankow, Mackay avg)
9.77E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 9.699 L/kg (MCI method)
Log Koc: 0.987 (MCI method)
Koc : 25.69 L/kg (Kow method)
Log Koc: 1.410 (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 = 0.353 (BCF = 2.255 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8597 days (HL = 0.1381 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.272 (BCF = 1.87)
Log BAF Arnot-Gobas method (upper trophic) = 0.272 (BAF = 1.87)
log Kow used: 1.04 (expkow database)
Volatilization from Water:
Henry LC: 0.00539 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 0.9588 hours (57.53 min)
Half-Life from Model Lake : 81.66 hours (3.403 days)
Removal In Wastewater Treatment:
Total removal: 68.24 percent
Total biodegradation: 0.04 percent
Total sludge adsorption: 0.76 percent
Total to Air: 67.44 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.16 1.39 1000
Water 86.2 360 1000
Soil 11.5 720 1000
Sediment 0.193 3.24e+003 0
Persistence Time: 73.5 hr