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CAS Num: 005694-72-4

SMILES : O(C(OC1CO)Cc(cccc2)c2)C1

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

MOL FOR: C11 H14 O3

MOL WT : 194.23

------------------------------ 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) = 1.62

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

Boiling Pt (deg C): 315.72 (Adapted Stein & Brown method)

Melting Pt (deg C): 79.15 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.5E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00199 (Modified Grain method)

Subcooled liquid VP: 4.9E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00653 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6253

log Kow used: 1.62 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 43909 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.16E-010 atm-m3/mole (1.18E-005 Pa-m3/mole)

Group Method: 3.22E-012 atm-m3/mole (3.27E-007 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: 6.131E-010 atm-m3/mole (6.212E-005 Pa-m3/mole)

VP: 1.5E-005 mm Hg (source: MPBPVP)

WS: 6.25E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.62 (KowWin est)

Log Kaw used: -8.324 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.944

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3018

Biowin2 (Non-Linear Model) : 0.0425

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8597 (weeks )

Biowin4 (Primary Survey Model) : 3.6138 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3778

Biowin6 (MITI Non-Linear Model): 0.1965

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0585

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): 0.00653 Pa (4.9E-005 mm Hg)

Log Koa (Koawin est ): 9.944

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

Mackay model : 0.000459

Octanol/air (Koa) model: 0.00216

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0163

Mackay model : 0.0354

Octanol/air (Koa) model: 0.147

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 31.6875 E-12 cm3/molecule-sec

Half-Life = 0.338 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.051 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0259 (Junge-Pankow, Mackay avg)

0.147 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 13.36 L/kg (MCI method)

Log Koc: 1.126 (MCI method)

Koc : 16.93 L/kg (Kow method)

Log Koc: 1.229 (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 = 0.481 (BCF = 3.026 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3568 days (HL = 0.04397 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.527 (BCF = 3.367)

Log BAF Arnot-Gobas method (upper trophic) = 0.527 (BAF = 3.367)

log Kow used: 1.62 (estimated)

Volatilization from Water:

Henry LC: 1.16E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.034E+006 hours (2.931E+005 days)

Half-Life from Model Lake : 7.674E+007 hours (3.197E+006 days)

Removal In Wastewater Treatment:

Total removal: 2.01 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.92 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00246 8.1 1000

Water 29 360 1000

Soil 71 720 1000

Sediment 0.0693 3.24e+003 0

Persistence Time: 652 hr

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