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CAS Num: 000612-16-8

SMILES : O(c(c(ccc1)CO)c1)C

CHEM : Benzenemethanol, 2-methoxy-

MOL FOR: C8 H10 O2

MOL WT : 138.17

------------------------------ 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) = 1.16

Log Kow (Exper. database match) = 1.13

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 243.83 (Adapted Stein & Brown method)

Melting Pt (deg C): 28.73 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00312 (Modified Grain method)

VP (Pa, 25 deg C) : 0.416 (Modified Grain method)

BP (exp database): 249 deg C

Subcooled liquid VP: 0.00337 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 2.989e+004

log Kow used: 1.13 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 19432 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Benzyl Alcohols

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

Bond Method : 1.29E-008 atm-m3/mole (1.30E-003 Pa-m3/mole)

Group Method: 3.79E-008 atm-m3/mole (3.84E-003 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: 1.898E-008 atm-m3/mole (1.923E-003 Pa-m3/mole)

VP: 0.00312 mm Hg (source: MPBPVP)

WS: 2.99E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.13 (exp database)

Log Kaw used: -6.278 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.408

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9724

Biowin2 (Non-Linear Model) : 0.9880

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9957 (weeks )

Biowin4 (Primary Survey Model) : 3.8550 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6350

Biowin6 (MITI Non-Linear Model): 0.7754

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6782

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.449 Pa (0.00337 mm Hg)

Log Koa (Koawin est ): 7.408

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

Mackay model : 6.68E-006

Octanol/air (Koa) model: 6.28E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000241

Mackay model : 0.000534

Octanol/air (Koa) model: 0.000502

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.4373 E-12 cm3/molecule-sec

Half-Life = 0.351 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.217 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000387 (Junge-Pankow, Mackay avg)

0.000502 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 14.03 L/kg (MCI method)

Log Koc: 1.147 (MCI method)

Koc : 15.65 L/kg (Kow method)

Log Koc: 1.195 (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 = 0.157 (BCF = 1.435 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1286 days (HL = 0.07436 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.287 (BCF = 1.938)

Log BAF Arnot-Gobas method (upper trophic) = 0.287 (BAF = 1.938)

log Kow used: 1.13 (expkow database)

Volatilization from Water:

Henry LC: 3.79E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.816E+004 hours (756.7 days)

Half-Life from Model Lake : 1.982E+005 hours (8259 days)

Removal In Wastewater Treatment:

Total removal: 1.90 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.81 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 0.432 8.43 1000

Water 32.7 360 1000

Soil 66.7 720 1000

Sediment 0.0793 3.24e+003 0

Persistence Time: 500 hr

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