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CAS Num: 067689-50-3
SMILES : O=C(OC(C(OC(C=C)(C1)C)C1)(C)C)C
CHEM : 2-Furanmethanol, 5-ethenyltetrahydro-a,a,5-trimethyl-, acetate
MOL FOR: C12 H20 O3
MOL WT : 212.29
------------------------------ 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) = 2.99
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 242.98 (Adapted Stein & Brown method)
Melting Pt (deg C): 40.09 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0278 (Modified Grain method)
VP (Pa, 25 deg C) : 3.71 (Modified Grain method)
Subcooled liquid VP: 0.0381 mm Hg (25 deg C, Mod-Grain method)
: 5.08 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 105.3
log Kow used: 2.99 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 897.5 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.19E-007 atm-m3/mole (8.30E-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: 7.374E-005 atm-m3/mole (7.472E+000 Pa-m3/mole)
VP: 0.0278 mm Hg (source: MPBPVP)
WS: 105 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.99 (KowWin est)
Log Kaw used: -4.475 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.465
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1054
Biowin2 (Non-Linear Model) : 0.0572
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4373 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4538 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6331
Biowin6 (MITI Non-Linear Model): 0.5102
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6572
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 5.08 Pa (0.0381 mm Hg)
Log Koa (Koawin est ): 7.465
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.91E-007
Octanol/air (Koa) model: 7.16E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.13E-005
Mackay model : 4.72E-005
Octanol/air (Koa) model: 0.000573
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 42.0888 E-12 cm3/molecule-sec
Half-Life = 0.254 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.050 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):
3.43E-005 (Junge-Pankow, Mackay avg)
0.000573 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 93.45 L/kg (MCI method)
Log Koc: 1.971 (MCI method)
Koc : 264.7 L/kg (Kow method)
Log Koc: 2.423 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.610E-002 L/mol-sec
Kb Half-Life at pH 8: 174.013 days
Kb Half-Life at pH 7: 4.764 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.641 (BCF = 43.76 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0605 days (HL = 0.087 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.422 (BCF = 26.43)
Log BAF Arnot-Gobas method (upper trophic) = 1.422 (BAF = 26.43)
log Kow used: 2.99 (estimated)
Volatilization from Water:
Henry LC: 8.19E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1043 hours (43.46 days)
Half-Life from Model Lake : 1.15E+004 hours (479.2 days)
Removal In Wastewater Treatment:
Total removal: 5.65 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.48 percent
Total to Air: 0.04 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.291 5.87 1000
Water 24.9 900 1000
Soil 74.7 1.8e+003 1000
Sediment 0.159 8.1e+003 0
Persistence Time: 908 hr