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: 004728-82-9
SMILES : O=C(OCC=C)CC(CCCC1)C1
CHEM : Cyclohexaneacetic acid, 2-propenyl ester
MOL FOR: C11 H18 O2
MOL WT : 182.26
------------------------------ 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) = 3.98
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 236.46 (Adapted Stein & Brown method)
Melting Pt (deg C): 6.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0558 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 7.43 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 21.44
log Kow used: 3.98 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 96.706 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 : 5.56E-004 atm-m3/mole (5.63E+001 Pa-m3/mole)
Group Method: 1.77E-004 atm-m3/mole (1.80E+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: 6.241E-004 atm-m3/mole (6.324E+001 Pa-m3/mole)
VP: 0.0558 mm Hg (source: MPBPVP)
WS: 21.4 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.98 (KowWin est)
Log Kaw used: -1.643 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.623
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8350
Biowin2 (Non-Linear Model) : 0.9890
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9366 (weeks )
Biowin4 (Primary Survey Model) : 3.8137 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7421
Biowin6 (MITI Non-Linear Model): 0.8465
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2787
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): 7.08 Pa (0.0531 mm Hg)
Log Koa (Koawin est ): 5.623
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.24E-007
Octanol/air (Koa) model: 1.03E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.53E-005
Mackay model : 3.39E-005
Octanol/air (Koa) model: 8.24E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 38.8259 E-12 cm3/molecule-sec
Half-Life = 0.275 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.306 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
2.46E-005 (Junge-Pankow, Mackay avg)
8.24E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 398.5 L/kg (MCI method)
Log Koc: 2.600 (MCI method)
Koc : 1151 L/kg (Kow method)
Log Koc: 3.061 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 5.261E-002 L/mol-sec
Kb Half-Life at pH 8: 152.469 days
Kb Half-Life at pH 7: 4.174 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.293 (BCF = 196.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7031 days (HL = 0.1981 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.893 (BCF = 78.09)
Log BAF Arnot-Gobas method (upper trophic) = 1.893 (BAF = 78.09)
log Kow used: 3.98 (estimated)
Volatilization from Water:
Henry LC: 0.000177 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.843 hours
Half-Life from Model Lake : 176.9 hours (7.373 days)
Removal In Wastewater Treatment:
Total removal: 33.91 percent
Total biodegradation: 0.30 percent
Total sludge adsorption: 27.97 percent
Total to Air: 5.65 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.764 5.13 1000
Water 21.3 360 1000
Soil 77.6 720 1000
Sediment 0.348 3.24e+003 0
Persistence Time: 403 hr