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CAS Number: 83783-86-2
SMILES : CC(C)=CCOC(=O)C(C)=CC
CHEM :
MOL FOR: C10 H16 O2
MOL WT : 168.24
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 3.49
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 212.06 (Adapted Stein & Brown method)
Melting Pt (deg C): -28.14 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.197 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 26.2 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 65.16
log Kow used: 3.49 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 589.36 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.32E-004 atm-m3/mole (7.42E+001 Pa-m3/mole)
Group Method: 5.73E-004 atm-m3/mole (5.81E+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: 6.693E-004 atm-m3/mole (6.781E+001 Pa-m3/mole)
VP: 0.197 mm Hg (source: MPBPVP)
WS: 65.2 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.49 (KowWin est)
Log Kaw used: -1.524 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.014
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8416
Biowin2 (Non-Linear Model) : 0.9910
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9676 (weeks )
Biowin4 (Primary Survey Model) : 3.8340 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6188
Biowin6 (MITI Non-Linear Model): 0.6636
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5686
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): 24.1 Pa (0.181 mm Hg)
Log Koa (Koawin est ): 5.014
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.24E-007
Octanol/air (Koa) model: 2.54E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.49E-006
Mackay model : 9.94E-006
Octanol/air (Koa) model: 2.03E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 119.3534 E-12 cm3/molecule-sec
Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.075 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 50.393749 E-17 cm3/molecule-sec
Half-Life = 0.023 Days (at 7E11 mol/cm3)
Half-Life = 32.747 Min
Fraction sorbed to airborne particulates (phi):
7.22E-006 (Junge-Pankow, Mackay avg)
2.03E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 161.8 L/kg (MCI method)
Log Koc: 2.209 (MCI method)
Koc : 616.5 L/kg (Kow method)
Log Koc: 2.790 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 5.607E-003 L/mol-sec
Kb Half-Life at pH 8: 3.917 years
Kb Half-Life at pH 7: 39.173 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.972 (BCF = 93.72 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4531 days (HL = 0.3523 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.009 (BCF = 102.1)
Log BAF Arnot-Gobas method (upper trophic) = 2.009 (BAF = 102.1)
log Kow used: 3.49 (estimated)
Volatilization from Water:
Henry LC: 0.000573 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.649 hours
Half-Life from Model Lake : 137.7 hours (5.736 days)
Removal In Wastewater Treatment:
Total removal: 29.31 percent
Total biodegradation: 0.15 percent
Total sludge adsorption: 11.47 percent
Total to Air: 17.69 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.128 0.435 1000
Water 26 360 1000
Soil 73.7 720 1000
Sediment 0.212 3.24e+003 0
Persistence Time: 284 hr