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CAS Num: 000108-22-5

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

CHEM : 1-Propen-2-ol, acetate

MOL FOR: C5 H8 O2

MOL WT : 100.12

------------------------------ 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) = 1.28

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

Boiling Pt (deg C): 93.93 (Adapted Stein & Brown method)

Melting Pt (deg C): -79.63 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 42.6 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.68E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -92.9 deg C

BP (exp database): 97 deg C

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

Water Solubility at 25 deg C (mg/L): 9522

log Kow used: 1.28 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 21850 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 1.83E-003 atm-m3/mole (1.85E+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: 5.894E-004 atm-m3/mole (5.972E+001 Pa-m3/mole)

VP: 42.6 mm Hg (source: MPBPVP)

WS: 9.52E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.28 (KowWin est)

Log Kaw used: -1.126 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.406

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8741

Biowin2 (Non-Linear Model) : 0.9966

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1181 (weeks )

Biowin4 (Primary Survey Model) : 3.9323 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7712

Biowin6 (MITI Non-Linear Model): 0.8982

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7017

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): 5.41E+003 Pa (40.6 mm Hg)

Log Koa (Koawin est ): 2.406

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

Mackay model : 5.54E-010

Octanol/air (Koa) model: 6.25E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2E-008

Mackay model : 4.43E-008

Octanol/air (Koa) model: 5E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 51.5782 E-12 cm3/molecule-sec

Half-Life = 0.207 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.488 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec

Half-Life = 1.007 Days (at 7E11 mol/cm3)

Half-Life = 24.179 Hrs

Fraction sorbed to airborne particulates (phi):

3.22E-008 (Junge-Pankow, Mackay avg)

5E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8.558 L/kg (MCI method)

Log Koc: 0.932 (MCI method)

Koc : 36.94 L/kg (Kow method)

Log Koc: 1.568 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.662E-001 L/mol-sec

Kb Half-Life at pH 8: 30.136 days

Kb Half-Life at pH 7: 301.358 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.508 (BCF = 3.223 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4745 days (HL = 0.03353 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.293 (BCF = 1.962)

Log BAF Arnot-Gobas method (upper trophic) = 0.293 (BAF = 1.962)

log Kow used: 1.28 (estimated)

Volatilization from Water:

Henry LC: 0.00183 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.341 hours

Half-Life from Model Lake : 98.53 hours (4.105 days)

Removal In Wastewater Treatment:

Total removal: 43.49 percent

Total biodegradation: 0.06 percent

Total sludge adsorption: 1.18 percent

Total to Air: 42.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.27 3.65 1000

Water 72.8 360 1000

Soil 22.8 720 1000

Sediment 0.159 3.24e+003 0

Persistence Time: 92.1 hr

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