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CAS Num: 002568-25-4

SMILES : O(CC(O1)C)C1c(cccc2)c2

CHEM : 1,3-Dioxolane, 4-methyl-2-phenyl-

MOL FOR: C10 H12 O2

MOL WT : 164.21

------------------------------ 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) = 1.74

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

Boiling Pt (deg C): 240.62 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.18 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0448 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.97 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2119

log Kow used: 1.74 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2186.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.39E-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: 4.568E-006 atm-m3/mole (4.629E-001 Pa-m3/mole)

VP: 0.0448 mm Hg (source: MPBPVP)

WS: 2.12E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.74 (KowWin est)

Log Kaw used: -4.010 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.750

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1027

Biowin2 (Non-Linear Model) : 0.0123

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8410 (weeks )

Biowin4 (Primary Survey Model) : 3.5962 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2905

Biowin6 (MITI Non-Linear Model): 0.1916

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0644

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): 5.73 Pa (0.043 mm Hg)

Log Koa (Koawin est ): 5.750

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

Mackay model : 5.23E-007

Octanol/air (Koa) model: 1.38E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.89E-005

Mackay model : 4.19E-005

Octanol/air (Koa) model: 1.1E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.1382 E-12 cm3/molecule-sec

Half-Life = 0.462 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.547 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.04E-005 (Junge-Pankow, Mackay avg)

1.1E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 81.57 L/kg (MCI method)

Log Koc: 1.912 (MCI method)

Koc : 50.86 L/kg (Kow method)

Log Koc: 1.706 (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 = 0.818 (BCF = 6.578 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2764 days (HL = 0.05291 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.635 (BCF = 4.317)

Log BAF Arnot-Gobas method (upper trophic) = 0.635 (BAF = 4.317)

log Kow used: 1.74 (estimated)

Volatilization from Water:

Henry LC: 2.39E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 315.2 hours (13.13 days)

Half-Life from Model Lake : 3546 hours (147.8 days)

Removal In Wastewater Treatment:

Total removal: 2.20 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.97 percent

Total to Air: 0.14 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.06 11.1 1000

Water 28.6 360 1000

Soil 70.2 720 1000

Sediment 0.147 3.24e+003 0

Persistence Time: 438 hr

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