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CAS Number: 2867-47-2
SMILES : O=C(OCCN(C)C)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester
MOL FOR: C8 H15 N1 O2
MOL WT : 157.21
------------------------------ 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) = 0.97
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 183.13 (Adapted Stein & Brown method)
Melting Pt (deg C): -20.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.721 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 96.1 (Mean VP of Antoine & Grain methods)
MP (exp database): -30 deg C
BP (exp database): 186 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.061e+005
log Kow used: 0.97 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.2719e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.54E-008 atm-m3/mole (9.67E-003 Pa-m3/mole)
Group Method: 1.44E-007 atm-m3/mole (1.46E-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: 1.406E-006 atm-m3/mole (1.424E-001 Pa-m3/mole)
VP: 0.721 mm Hg (source: MPBPVP)
WS: 1.06E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.97 (KowWin est)
Log Kaw used: -5.409 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.379
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6416
Biowin2 (Non-Linear Model) : 0.9329
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7372 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5619 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6158
Biowin6 (MITI Non-Linear Model): 0.6383
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4007
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 87.5 Pa (0.656 mm Hg)
Log Koa (Koawin est ): 6.379
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.43E-008
Octanol/air (Koa) model: 5.87E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.24E-006
Mackay model : 2.74E-006
Octanol/air (Koa) model: 4.7E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 99.1777 E-12 cm3/molecule-sec
Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.294 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):
1.99E-006 (Junge-Pankow, Mackay avg)
4.7E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 19.51 L/kg (MCI method)
Log Koc: 1.290 (MCI method)
Koc : 21.41 L/kg (Kow method)
Log Koc: 1.331 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.259E-003 L/mol-sec
Kb Half-Life at pH 8: 5.157 years
Kb Half-Life at pH 7: 51.569 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) = -2.2035 days (HL = 0.00626 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.033 (BCF = 1.08)
Log BAF Arnot-Gobas method (upper trophic) = 0.033 (BAF = 1.08)
log Kow used: 0.97 (estimated)
Volatilization from Water:
Henry LC: 1.44E-007 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5099 hours (212.5 days)
Half-Life from Model Lake : 5.573E+004 hours (2322 days)
Removal In Wastewater Treatment:
Total removal: 1.89 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.79 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.148 2.34 1000
Water 37.1 900 1000
Soil 62.6 1.8e+003 1000
Sediment 0.105 8.1e+003 0
Persistence Time: 739 hr