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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

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