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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