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CAS Num: 004359-54-0
SMILES : O(CC(O1)C)C1c(occ2)c2
CHEM : 1,3-Dioxolane, 2-(2-furanyl)-4-methyl-
MOL FOR: C8 H10 O3
MOL WT : 154.17
------------------------------ 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) = 1.11
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 208.05 (Adapted Stein & Brown method)
Melting Pt (deg C): 15.06 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.241 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 32.1 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 8129
log Kow used: 1.11 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 22434 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.38E-006 atm-m3/mole (2.42E-001 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: 6.014E-006 atm-m3/mole (6.094E-001 Pa-m3/mole)
VP: 0.241 mm Hg (source: MPBPVP)
WS: 8.13E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.11 (KowWin est)
Log Kaw used: -4.012 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.122
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0206
Biowin2 (Non-Linear Model) : 0.0024
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8411 (weeks )
Biowin4 (Primary Survey Model) : 3.6058 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3039
Biowin6 (MITI Non-Linear Model): 0.1994
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0918
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): 29.6 Pa (0.222 mm Hg)
Log Koa (Koawin est ): 5.122
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.01E-007
Octanol/air (Koa) model: 3.25E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.66E-006
Mackay model : 8.11E-006
Octanol/air (Koa) model: 2.6E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 114.5971 E-12 cm3/molecule-sec
Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.120 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
5.88E-006 (Junge-Pankow, Mackay avg)
2.6E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 44.76 L/kg (MCI method)
Log Koc: 1.651 (MCI method)
Koc : 22.8 L/kg (Kow method)
Log Koc: 1.358 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.402 (BCF = 2.525 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.3033 days (HL = 0.04974 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.251 (BCF = 1.781)
Log BAF Arnot-Gobas method (upper trophic) = 0.251 (BAF = 1.781)
log Kow used: 1.11 (estimated)
Volatilization from Water:
Henry LC: 2.38E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 306.7 hours (12.78 days)
Half-Life from Model Lake : 3450 hours (143.8 days)
Removal In Wastewater Treatment:
Total removal: 2.03 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 percent
Total to Air: 0.13 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.262 2.24 1000
Water 31.5 360 1000
Soil 68.1 720 1000
Sediment 0.116 3.24e+003 0
Persistence Time: 414 hr