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CAS Number: 51289-08-8
SMILES : CCOCCOC(=O)C(=C)C
CHEM :
MOL FOR: C8 H14 O3
MOL WT : 158.20
------------------------------ 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) = 1.49
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 184.51 (Adapted Stein & Brown method)
Melting Pt (deg C): -25.16 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.775 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 103 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3711
log Kow used: 1.49 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 15911 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.99E-006 atm-m3/mole (3.03E-001 Pa-m3/mole)
Group Method: 8.48E-007 atm-m3/mole (8.59E-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: 4.347E-005 atm-m3/mole (4.405E+000 Pa-m3/mole)
VP: 0.775 mm Hg (source: MPBPVP)
WS: 3.71E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.49 (KowWin est)
Log Kaw used: -3.913 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.403
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4991
Biowin2 (Non-Linear Model) : 0.8041
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9811 (weeks )
Biowin4 (Primary Survey Model) : 3.8387 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7482
Biowin6 (MITI Non-Linear Model): 0.8432
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5225
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): 94 Pa (0.705 mm Hg)
Log Koa (Koawin est ): 5.403
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.19E-008
Octanol/air (Koa) model: 6.21E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.15E-006
Mackay model : 2.55E-006
Octanol/air (Koa) model: 4.97E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 33.1453 E-12 cm3/molecule-sec
Half-Life = 0.323 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.872 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 Hrs
Fraction sorbed to airborne particulates (phi):
1.85E-006 (Junge-Pankow, Mackay avg)
4.97E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 13.55 L/kg (MCI method)
Log Koc: 1.132 (MCI method)
Koc : 39.18 L/kg (Kow method)
Log Koc: 1.593 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 7.000E-003 L/mol-sec
Kb Half-Life at pH 8: 3.138 years
Kb Half-Life at pH 7: 31.376 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.651 (BCF = 4.48 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5076 days (HL = 0.03108 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.400 (BCF = 2.509)
Log BAF Arnot-Gobas method (upper trophic) = 0.400 (BAF = 2.509)
log Kow used: 1.49 (estimated)
Volatilization from Water:
Henry LC: 8.48E-007 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 869.7 hours (36.24 days)
Half-Life from Model Lake : 9593 hours (399.7 days)
Removal In Wastewater Treatment:
Total removal: 2.02 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.88 percent
Total to Air: 0.05 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.775 6.65 1000
Water 37.9 360 1000
Soil 61.2 720 1000
Sediment 0.091 3.24e+003 0
Persistence Time: 387 hr