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CAS Number: 45103-58-0
SMILES : O=C(OCCOCCOC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, 2-(2-methoxyethoxy)ethyl ester
MOL FOR: C9 H16 O4
MOL WT : 188.23
------------------------------ 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) = 0.73
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 224.64 (Adapted Stein & Brown method)
Melting Pt (deg C): 3.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.103 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 13.8 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.203e+004
log Kow used: 0.73 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.0345e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.50E-008 atm-m3/mole (3.55E-003 Pa-m3/mole)
Group Method: 1.34E-009 atm-m3/mole (1.36E-004 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: 2.121E-006 atm-m3/mole (2.149E-001 Pa-m3/mole)
VP: 0.103 mm Hg (source: MPBPVP)
WS: 1.2E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.73 (KowWin est)
Log Kaw used: -5.844 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.574
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1374
Biowin2 (Non-Linear Model) : 0.0799
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9061 (weeks )
Biowin4 (Primary Survey Model) : 3.7857 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7097
Biowin6 (MITI Non-Linear Model): 0.7572
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2912
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): 12.9 Pa (0.0967 mm Hg)
Log Koa (Koawin est ): 6.574
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.33E-007
Octanol/air (Koa) model: 9.2E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.4E-006
Mackay model : 1.86E-005
Octanol/air (Koa) model: 7.36E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 41.8171 E-12 cm3/molecule-sec
Half-Life = 0.256 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.069 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):
1.35E-005 (Junge-Pankow, Mackay avg)
7.36E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 12.08 L/kg (Kow method)
Log Koc: 1.082 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.8189 days (HL = 0.01517 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.042 (BCF = 1.101)
Log BAF Arnot-Gobas method (upper trophic) = 0.042 (BAF = 1.101)
log Kow used: 0.73 (estimated)
Volatilization from Water:
Henry LC: 1.34E-009 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.995E+005 hours (2.498E+004 days)
Half-Life from Model Lake : 6.54E+006 hours (2.725E+005 days)
Removal In Wastewater Treatment:
Total removal: 1.87 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.78 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0272 4.9 1000
Water 31 360 1000
Soil 68.9 720 1000
Sediment 0.0697 3.24e+003 0
Persistence Time: 621 hr