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CAS Num: 028787-36-2




MOL WT : 168.15

------------------------------ 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) = 0.79

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

Boiling Pt (deg C): 263.50 (Adapted Stein & Brown method)

Melting Pt (deg C): 54.15 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00713 (Modified Grain method)

VP (Pa, 25 deg C) : 0.951 (Modified Grain method)

Subcooled liquid VP: 0.0133 mm Hg (25 deg C, Mod-Grain method)

: 1.77 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.334e+004

log Kow used: 0.79 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.161e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Vinyl/Allyl Ketones

Vinyl/Allyl Ethers

Vinyl/Allyl Esters

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

Bond Method : 7.07E-007 atm-m3/mole (7.16E-002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.183E-007 atm-m3/mole (1.198E-002 Pa-m3/mole)

VP: 0.00713 mm Hg (source: MPBPVP)

WS: 1.33E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.79 (KowWin est)

Log Kaw used: -4.539 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.329

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5011

Biowin2 (Non-Linear Model) : 0.6938

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9366 (weeks )

Biowin4 (Primary Survey Model) : 3.8021 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6880

Biowin6 (MITI Non-Linear Model): 0.7190

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0526

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): 1.77 Pa (0.0133 mm Hg)

Log Koa (Koawin est ): 5.329

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

Mackay model : 1.69E-006

Octanol/air (Koa) model: 5.24E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.11E-005

Mackay model : 0.000135

Octanol/air (Koa) model: 4.19E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 49.9582 E-12 cm3/molecule-sec

Half-Life = 0.214 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.569 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.312500 E-17 cm3/molecule-sec

Half-Life = 0.873 Days (at 7E11 mol/cm3)

Half-Life = 20.955 Hrs

Fraction sorbed to airborne particulates (phi):

9.82E-005 (Junge-Pankow, Mackay avg)

4.19E-006 (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 : 25.2 L/kg (Kow method)

Log Koc: 1.401 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.567E-001 L/mol-sec

Kb Half-Life at pH 8: 51.178 days

Kb Half-Life at pH 7: 1.401 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.0022 days (HL = 0.00995 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.030 (BCF = 1.072)

Log BAF Arnot-Gobas method (upper trophic) = 0.030 (BAF = 1.072)

log Kow used: 0.79 (estimated)

Volatilization from Water:

Henry LC: 7.07E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1075 hours (44.8 days)

Half-Life from Model Lake : 1.184E+004 hours (493.2 days)

Removal In Wastewater Treatment:

Total removal: 1.91 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.78 percent

Total to Air: 0.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.518 4.13 1000

Water 39.8 360 1000

Soil 59.6 720 1000

Sediment 0.0896 3.24e+003 0

Persistence Time: 376 hr

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