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CAS Number: 7336-27-8
SMILES : CC(C)CCOC(=O)C(C)=C
CHEM :
MOL FOR: C9 H16 O2
MOL WT : 156.23
------------------------------ 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) = 3.17
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 171.10 (Adapted Stein & Brown method)
Melting Pt (deg C): -42.06 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.48 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 198 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 140.8
log Kow used: 3.17 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 406.32 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.50E-004 atm-m3/mole (4.56E+001 Pa-m3/mole)
Group Method: 1.34E-003 atm-m3/mole (1.36E+002 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: 2.161E-003 atm-m3/mole (2.189E+002 Pa-m3/mole)
VP: 1.48 mm Hg (source: MPBPVP)
WS: 141 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.17 (KowWin est)
Log Kaw used: -1.735 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.905
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8474
Biowin2 (Non-Linear Model) : 0.9924
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9941 (weeks )
Biowin4 (Primary Survey Model) : 3.8513 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6529
Biowin6 (MITI Non-Linear Model): 0.7919
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5083
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): 180 Pa (1.35 mm Hg)
Log Koa (Koawin est ): 4.905
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.67E-008
Octanol/air (Koa) model: 1.97E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.02E-007
Mackay model : 1.33E-006
Octanol/air (Koa) model: 1.58E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 24.0979 E-12 cm3/molecule-sec
Half-Life = 0.444 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.326 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):
9.68E-007 (Junge-Pankow, Mackay avg)
1.58E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 84.8 L/kg (MCI method)
Log Koc: 1.928 (MCI method)
Koc : 410.1 L/kg (Kow method)
Log Koc: 2.613 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.727E-003 L/mol-sec
Kb Half-Life at pH 8: 8.054 years
Kb Half-Life at pH 7: 80.536 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.756 (BCF = 57.01 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9350 days (HL = 0.1161 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.565 (BCF = 36.73)
Log BAF Arnot-Gobas method (upper trophic) = 1.565 (BAF = 36.73)
log Kow used: 3.17 (estimated)
Volatilization from Water:
Henry LC: 0.00134 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.822 hours
Half-Life from Model Lake : 124.7 hours (5.195 days)
Removal In Wastewater Treatment:
Total removal: 39.44 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 5.97 percent
Total to Air: 33.37 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.94 7.39 1000
Water 39.5 360 1000
Soil 56.4 720 1000
Sediment 0.208 3.24e+003 0
Persistence Time: 173 hr