This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
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