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CAS Number: 692-45-5

SMILES : C=COC=O

CHEM : Vinyl formate

MOL FOR: C3 H4 O2

MOL WT : 72.06

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 0.18

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

Boiling Pt (deg C): 53.07 (Adapted Stein & Brown method)

Melting Pt (deg C): -87.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 259 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.46E+004 (Mean VP of Antoine & Grain methods)

VP (exp database): 3.13E+02 mm Hg (4.17E+004 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 9.439e+004

log Kow used: 0.18 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 69056 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 1.60E-003 atm-m3/mole (1.62E+002 Pa-m3/mole)

Group Method: 5.23E-004 atm-m3/mole (5.30E+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: 2.602E-004 atm-m3/mole (2.636E+001 Pa-m3/mole)

VP: 259 mm Hg (source: MPBPVP)

WS: 9.44E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.18 (KowWin est)

Log Kaw used: -1.184 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 1.364

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8874

Biowin2 (Non-Linear Model) : 0.9977

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1801 (weeks )

Biowin4 (Primary Survey Model) : 3.9727 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8601

Biowin6 (MITI Non-Linear Model): 0.9515

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7874

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): 4.17E+004 Pa (313 mm Hg)

Log Koa (Koawin est ): 1.364

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

Mackay model : 7.19E-011

Octanol/air (Koa) model: 5.68E-012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.6E-009

Mackay model : 5.75E-009

Octanol/air (Koa) model: 4.54E-010

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.3000 E-12 cm3/molecule-sec

Half-Life = 0.407 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.880 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

4.17E-009 (Junge-Pankow, Mackay avg)

4.54E-010 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.642 L/kg (MCI method)

Log Koc: 0.561 (MCI method)

Koc : 9.101 L/kg (Kow method)

Log Koc: 0.959 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.952E+001 L/mol-sec

Kb Half-Life at pH 8: 2.769 hours

Kb Half-Life at pH 7: 1.154 days

(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) = -2.1304 days (HL = 0.007407 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.032 (BCF = 0.9296)

Log BAF Arnot-Gobas method (upper trophic) = -0.032 (BAF = 0.9296)

log Kow used: 0.18 (estimated)

Volatilization from Water:

Henry LC: 0.000523 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.817 hours

Half-Life from Model Lake : 91 hours (3.791 days)

Removal In Wastewater Treatment:

Total removal: 20.24 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 1.48 percent

Total to Air: 18.68 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.34 9.19 1000

Water 58.8 360 1000

Soil 34.7 720 1000

Sediment 0.117 3.24e+003 0

Persistence Time: 134 hr

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