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CAS Number: 646-06-0

SMILES : O(CCO1)C1

CHEM : 1,3-Dioxolane

MOL FOR: C3 H6 O2

MOL WT : 74.08

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = -0.31

Log Kow (Exper. database match) = -0.37

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 76.12 (Adapted Stein & Brown method)

Melting Pt (deg C): -75.26 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 104 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.39E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -95 deg C

BP (exp database): 78 deg C

VP (exp database): 7.90E+01 mm Hg (1.05E+004 Pa) at 20 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 2.769e+005

log Kow used: -0.37 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)

Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.512e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.23E-005 atm-m3/mole (2.26E+000 Pa-m3/mole)

Group Method: 2.13E-005 atm-m3/mole (2.16E+000 Pa-m3/mole)

Exper Database: 2.45E-05 atm-m3/mole (2.48E+000 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: 3.661E-005 atm-m3/mole (3.709E+000 Pa-m3/mole)

VP: 104 mm Hg (source: MPBPVP)

WS: 2.77E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -0.37 (exp database)

Log Kaw used: -2.999 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.629

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0176

Biowin2 (Non-Linear Model) : 0.0074

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0181 (weeks )

Biowin4 (Primary Survey Model) : 3.7214 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5539

Biowin6 (MITI Non-Linear Model): 0.7073

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0385

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): 1.05E+004 Pa (79 mm Hg)

Log Koa (Koawin est ): 2.629

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 2.85E-010

Octanol/air (Koa) model: 1.04E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.03E-008

Mackay model : 2.28E-008

Octanol/air (Koa) model: 8.36E-009

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.1578 E-12 cm3/molecule-sec

Half-Life = 0.959 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.503 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.65E-008 (Junge-Pankow, Mackay avg)

8.36E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.445 L/kg (MCI method)

Log Koc: 0.160 (MCI method)

Koc : 3.461 L/kg (Kow method)

Log Koc: 0.539 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.5985 days (HL = 0.02521 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.038 (BCF = 0.9159)

Log BAF Arnot-Gobas method (upper trophic) = -0.038 (BAF = 0.9159)

log Kow used: -0.37 (expkow database)

Volatilization from Water:

Henry LC: 2.45E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 21.45 hours

Half-Life from Model Lake : 306.1 hours (12.76 days)

Removal In Wastewater Treatment:

Total removal: 3.16 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.74 percent

Total to Air: 1.33 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.45 23 1000

Water 46.4 360 1000

Soil 50 720 1000

Sediment 0.0878 3.24e+003 0

Persistence Time: 310 hr

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