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 Number: 689-12-3
SMILES : O=C(OC(C)C)C=C
CHEM : 2-Propenoic acid, 1-methylethyl ester
MOL FOR: C6 H10 O2
MOL WT : 114.15
------------------------------ 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) = 1.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 109.98 (Adapted Stein & Brown method)
Melting Pt (deg C): -69.83 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 24.3 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.24E+003 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4216
log Kow used: 1.64 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7377 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.63E-004 atm-m3/mole (1.65E+001 Pa-m3/mole)
Group Method: 1.47E-004 atm-m3/mole (1.49E+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: 8.657E-004 atm-m3/mole (8.772E+001 Pa-m3/mole)
VP: 24.3 mm Hg (source: MPBPVP)
WS: 4.22E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.64 (KowWin est)
Log Kaw used: -2.176 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.816
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8674
Biowin2 (Non-Linear Model) : 0.9958
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0871 (weeks )
Biowin4 (Primary Survey Model) : 3.9120 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6850
Biowin6 (MITI Non-Linear Model): 0.8457
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4624
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): 3.05E+003 Pa (22.9 mm Hg)
Log Koa (Koawin est ): 3.816
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.83E-010
Octanol/air (Koa) model: 1.61E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.55E-008
Mackay model : 7.86E-008
Octanol/air (Koa) model: 1.29E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 12.6436 E-12 cm3/molecule-sec
Half-Life = 0.846 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.152 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):
5.7E-008 (Junge-Pankow, Mackay avg)
1.29E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 16.32 L/kg (MCI method)
Log Koc: 1.213 (MCI method)
Koc : 58.43 L/kg (Kow method)
Log Koc: 1.767 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.834E-002 L/mol-sec
Kb Half-Life at pH 8: 1.198 years
Kb Half-Life at pH 7: 11.975 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.747 (BCF = 5.582 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4918 days (HL = 0.03222 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.489 (BCF = 3.087)
Log BAF Arnot-Gobas method (upper trophic) = 0.489 (BAF = 3.087)
log Kow used: 1.64 (estimated)
Volatilization from Water:
Henry LC: 0.000147 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.346 hours
Half-Life from Model Lake : 147.9 hours (6.163 days)
Removal In Wastewater Treatment:
Total removal: 8.71 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.82 percent
Total to Air: 6.81 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.45 18 1000
Water 38.8 360 1000
Soil 56.7 720 1000
Sediment 0.0975 3.24e+003 0
Persistence Time: 261 hr