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CAS Num: 004359-46-0

SMILES : O(CC1C)C(O1)CC

CHEM : 1,3-DIOXOLANE, 2-ETHYL-4-METHYL-

MOL FOR: C6 H12 O2

MOL WT : 116.16

------------------------------ 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) = 1.02

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

Boiling Pt (deg C): 133.75 (Adapted Stein & Brown method)

Melting Pt (deg C): -45.77 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 10.4 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.39E+003 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.397e+004

log Kow used: 1.02 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 35519 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.22E-005 atm-m3/mole (5.29E+000 Pa-m3/mole)

Group Method: 1.90E-005 atm-m3/mole (1.92E+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: 1.138E-004 atm-m3/mole (1.153E+001 Pa-m3/mole)

VP: 10.4 mm Hg (source: MPBPVP)

WS: 1.4E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.02 (KowWin est)

Log Kaw used: -2.671 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.691

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0025

Biowin2 (Non-Linear Model) : 0.0041

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9251 (weeks )

Biowin4 (Primary Survey Model) : 3.6607 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4644

Biowin6 (MITI Non-Linear Model): 0.3552

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1473

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): 1.29E+003 Pa (9.68 mm Hg)

Log Koa (Koawin est ): 3.691

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

Mackay model : 2.32E-009

Octanol/air (Koa) model: 1.21E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.4E-008

Mackay model : 1.86E-007

Octanol/air (Koa) model: 9.64E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 20.8735 E-12 cm3/molecule-sec

Half-Life = 0.512 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.149 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.35E-007 (Junge-Pankow, Mackay avg)

9.64E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7.095 L/kg (MCI method)

Log Koc: 0.851 (MCI method)

Koc : 20.33 L/kg (Kow method)

Log Koc: 1.308 (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 = 0.339 (BCF = 2.184 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9324 days (HL = 0.1168 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.255 (BCF = 1.797)

Log BAF Arnot-Gobas method (upper trophic) = 0.255 (BAF = 1.797)

log Kow used: 1.02 (estimated)

Volatilization from Water:

Henry LC: 5.22E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 13.19 hours

Half-Life from Model Lake : 234.2 hours (9.76 days)

Removal In Wastewater Treatment:

Total removal: 4.56 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 percent

Total to Air: 2.72 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.42 12.3 1000

Water 42.5 360 1000

Soil 55 720 1000

Sediment 0.0904 3.24e+003 0

Persistence Time: 296 hr

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