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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

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