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CAS Number: 5953-76-4

SMILES : CC=C(C)C(=O)OC

CHEM : methyl (Z)-2-methylbut-2-enoate

MOL FOR: C6 H10 O2

MOL WT : 114.15

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 1.69

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 126.60 (Adapted Stein & Brown method)

Melting Pt (deg C): -66.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.65 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 887 (Mean VP of Antoine & Grain methods)

BP (exp database): 139 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 3813

log Kow used: 1.69 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 15467 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Methacrylates

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.27E-004 atm-m3/mole (2.30E+001 Pa-m3/mole)

Group Method: 2.87E-004 atm-m3/mole (2.91E+001 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: 2.619E-004 atm-m3/mole (2.654E+001 Pa-m3/mole)

VP: 6.65 mm Hg (source: MPBPVP)

WS: 3.81E+003 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 1.69 (KowWin est)

Log Kaw used: -2.032 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.722

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8674

Biowin2 (Non-Linear Model) : 0.9958

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0871 (weeks )

Biowin4 (Primary Survey Model) : 3.9120 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7237

Biowin6 (MITI Non-Linear Model): 0.8536

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6957

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): 816 Pa (6.12 mm Hg)

Log Koa (Koawin est ): 3.722

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 3.68E-009

Octanol/air (Koa) model: 1.29E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.33E-007

Mackay model : 2.94E-007

Octanol/air (Koa) model: 1.04E-007

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.9046 E-12 cm3/molecule-sec

Half-Life = 0.346 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.153 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec

Half-Life = 0.155 Days (at 7E11 mol/cm3)

Half-Life = 3.720 Hrs

Fraction sorbed to airborne particulates (phi):

2.13E-007 (Junge-Pankow, Mackay avg)

1.04E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 17.44 L/kg (MCI method)

Log Koc: 1.241 (MCI method)

Koc : 62.27 L/kg (Kow method)

Log Koc: 1.794 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 2.069E-003 L/mol-sec

Kb Half-Life at pH 8: 10.614 years

Kb Half-Life at pH 7: 106.143 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.780 (BCF = 6.032 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2375 days (HL = 0.05788 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.609 (BCF = 4.066)

Log BAF Arnot-Gobas method (upper trophic) = 0.609 (BAF = 4.066)

log Kow used: 1.69 (estimated)

Volatilization from Water:

Henry LC: 0.000287 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.27 hours

Half-Life from Model Lake : 125.3 hours (5.219 days)

Removal In Wastewater Treatment:

Total removal: 13.62 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 11.78 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.14 2.57 1000

Water 43.4 360 1000

Soil 55.4 720 1000

Sediment 0.111 3.24e+003 0

Persistence Time: 201 hr

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