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CAS Num: 005468-05-3

SMILES : O(C(OC1C)Cc(cccc2)c2)C1

CHEM : 1,3-Dioxolane, 4-methyl-2-(phenylmethyl)-

MOL FOR: C11 H14 O2

MOL WT : 178.23

------------------------------ 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) = 2.24

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

Boiling Pt (deg C): 258.14 (Adapted Stein & Brown method)

Melting Pt (deg C): 31.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0152 (Modified Grain method)

VP (Pa, 25 deg C) : 2.02 (Modified Grain method)

Subcooled liquid VP: 0.0175 mm Hg (25 deg C, Mod-Grain method)

: 2.33 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 692.1

log Kow used: 2.24 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 689.26 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.17E-006 atm-m3/mole (3.21E-001 Pa-m3/mole)

Group Method: 2.81E-007 atm-m3/mole (2.85E-002 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: 5.150E-006 atm-m3/mole (5.219E-001 Pa-m3/mole)

VP: 0.0152 mm Hg (source: MPBPVP)

WS: 692 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.24 (KowWin est)

Log Kaw used: -3.887 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.127

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1507

Biowin2 (Non-Linear Model) : 0.0179

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7351 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5075 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2153

Biowin6 (MITI Non-Linear Model): 0.0862

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1799

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): 2.33 Pa (0.0175 mm Hg)

Log Koa (Koawin est ): 6.127

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

Mackay model : 1.29E-006

Octanol/air (Koa) model: 3.29E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.64E-005

Mackay model : 0.000103

Octanol/air (Koa) model: 2.63E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 25.5513 E-12 cm3/molecule-sec

Half-Life = 0.419 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.023 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.46E-005 (Junge-Pankow, Mackay avg)

2.63E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 145.7 L/kg (MCI method)

Log Koc: 2.163 (MCI method)

Koc : 96.14 L/kg (Kow method)

Log Koc: 1.983 (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 = 1.142 (BCF = 13.87 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8444 days (HL = 0.1431 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.126 (BCF = 13.36)

Log BAF Arnot-Gobas method (upper trophic) = 1.126 (BAF = 13.36)

log Kow used: 2.24 (estimated)

Volatilization from Water:

Henry LC: 3.17E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 247.9 hours (10.33 days)

Half-Life from Model Lake : 2817 hours (117.4 days)

Removal In Wastewater Treatment:

Total removal: 2.71 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.44 percent

Total to Air: 0.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.466 10 1000

Water 22.6 900 1000

Soil 76.7 1.8e+003 1000

Sediment 0.204 8.1e+003 0

Persistence Time: 940 hr

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