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CAS Num: 005468-06-4

SMILES : CC2OC(OC2C)Cc1ccccc1

CHEM : 1,3-Dioxolane, 4,5-dimethyl-2-(phenylmethyl)-

MOL FOR: C12 H16 O2

MOL WT : 192.26

------------------------------ 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) = 2.65

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

Boiling Pt (deg C): 270.04 (Adapted Stein & Brown method)

Melting Pt (deg C): 38.92 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00707 (Modified Grain method)

VP (Pa, 25 deg C) : 0.942 (Modified Grain method)

Subcooled liquid VP: 0.00944 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 259.6

log Kow used: 2.65 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 225.07 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.21E-006 atm-m3/mole (4.27E-001 Pa-m3/mole)

Group Method: 6.58E-007 atm-m3/mole (6.67E-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: 6.890E-006 atm-m3/mole (6.981E-001 Pa-m3/mole)

VP: 0.00707 mm Hg (source: MPBPVP)

WS: 260 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.65 (KowWin est)

Log Kaw used: -3.764 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.414

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1441

Biowin2 (Non-Linear Model) : 0.0147

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7041 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4872 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1667

Biowin6 (MITI Non-Linear Model): 0.0426

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1000

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): 1.26 Pa (0.00944 mm Hg)

Log Koa (Koawin est ): 6.414

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

Mackay model : 2.38E-006

Octanol/air (Koa) model: 6.37E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.61E-005

Mackay model : 0.000191

Octanol/air (Koa) model: 5.09E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.5493 E-12 cm3/molecule-sec

Half-Life = 0.350 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.201 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000138 (Junge-Pankow, Mackay avg)

5.09E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 238.5 L/kg (MCI method)

Log Koc: 2.377 (MCI method)

Koc : 162.1 L/kg (Kow method)

Log Koc: 2.210 (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 = 1.418 (BCF = 26.16 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5906 days (HL = 0.2567 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.508 (BCF = 32.21)

Log BAF Arnot-Gobas method (upper trophic) = 1.508 (BAF = 32.21)

log Kow used: 2.65 (estimated)

Volatilization from Water:

Henry LC: 4.21E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 194.2 hours (8.094 days)

Half-Life from Model Lake : 2235 hours (93.14 days)

Removal In Wastewater Treatment:

Total removal: 3.83 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.49 percent

Total to Air: 0.23 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.383 8.4 1000

Water 20.8 900 1000

Soil 78.6 1.8e+003 1000

Sediment 0.285 8.1e+003 0

Persistence Time: 976 hr

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