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CAS Num: 001733-25-1


CHEM : 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (E)-

MOL FOR: C8 H14 O2

MOL WT : 142.20

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

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.60

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

Boiling Pt (deg C): 157.86 (Adapted Stein & Brown method)

Melting Pt (deg C): -53.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.78 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 370 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 497.1

log Kow used: 2.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2723 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 4.00E-004 atm-m3/mole (4.05E+001 Pa-m3/mole)

Group Method: 9.09E-004 atm-m3/mole (9.21E+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: 1.046E-003 atm-m3/mole (1.060E+002 Pa-m3/mole)

VP: 2.78 mm Hg (source: MPBPVP)

WS: 497 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.60 (KowWin est)

Log Kaw used: -1.786 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.386

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8540

Biowin2 (Non-Linear Model) : 0.9938

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0251 (weeks )

Biowin4 (Primary Survey Model) : 3.8715 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5900

Biowin6 (MITI Non-Linear Model): 0.7054

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4503

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): 337 Pa (2.53 mm Hg)

Log Koa (Koawin est ): 4.386

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

Mackay model : 8.89E-009

Octanol/air (Koa) model: 5.97E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.21E-007

Mackay model : 7.11E-007

Octanol/air (Koa) model: 4.78E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 34.1256 E-12 cm3/molecule-sec

Half-Life = 0.313 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.761 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):

5.16E-007 (Junge-Pankow, Mackay avg)

4.78E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 48.71 L/kg (MCI method)

Log Koc: 1.688 (MCI method)

Koc : 198.4 L/kg (Kow method)

Log Koc: 2.298 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.469E-003 L/mol-sec

Kb Half-Life at pH 8: 14.952 years

Kb Half-Life at pH 7: 149.517 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.380 (BCF = 23.99 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9763 days (HL = 0.1056 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.308 (BCF = 20.33)

Log BAF Arnot-Gobas method (upper trophic) = 1.308 (BAF = 20.33)

log Kow used: 2.60 (estimated)

Volatilization from Water:

Henry LC: 0.000909 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.985 hours

Half-Life from Model Lake : 121.6 hours (5.068 days)

Removal In Wastewater Treatment:

Total removal: 29.91 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 2.71 percent

Total to Air: 27.11 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.48 2.49 1000

Water 43.3 360 1000

Soil 55.1 720 1000

Sediment 0.166 3.24e+003 0

Persistence Time: 165 hr

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