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CAS Num: 000090-17-5

SMILES : O=C(OC(c(cccc1)c1)C(CL)(CL)CL)C

CHEM : Benzenemethanol, .alpha.-(trichloromethyl)-, acetate

MOL FOR: C10 H9 CL3 O2

MOL WT : 267.54

------------------------------ 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) = 3.85

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

Boiling Pt (deg C): 287.63 (Adapted Stein & Brown method)

Melting Pt (deg C): 64.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000976 (Modified Grain method)

VP (Pa, 25 deg C) : 0.13 (Modified Grain method)

MP (exp database): 86-89 deg C

Subcooled liquid VP: 0.00375 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 9.645

log Kow used: 3.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18.623 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 8.21E-007 atm-m3/mole (8.32E-002 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: 3.562E-005 atm-m3/mole (3.609E+000 Pa-m3/mole)

VP: 0.000976 mm Hg (source: MPBPVP)

WS: 9.64 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.85 (KowWin est)

Log Kaw used: -4.474 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.324

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4043

Biowin2 (Non-Linear Model) : 0.1003

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0385 (months )

Biowin4 (Primary Survey Model) : 3.2403 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3626

Biowin6 (MITI Non-Linear Model): 0.0327

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3243

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): 0.5 Pa (0.00375 mm Hg)

Log Koa (Koawin est ): 8.324

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

Mackay model : 6E-006

Octanol/air (Koa) model: 5.18E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000217

Mackay model : 0.00048

Octanol/air (Koa) model: 0.00412

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 4.8823 E-12 cm3/molecule-sec

Half-Life = 2.191 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 26.289 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000348 (Junge-Pankow, Mackay avg)

0.00412 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 803.3 L/kg (MCI method)

Log Koc: 2.905 (MCI method)

Koc : 975.1 L/kg (Kow method)

Log Koc: 2.989 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 6.163E-002 L/mol-sec

Kb Half-Life at pH 8: 130.161 days

Kb Half-Life at pH 7: 3.564 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.210 (BCF = 162.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9321 days (HL = 0.1169 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.673 (BCF = 47.11)

Log BAF Arnot-Gobas method (upper trophic) = 1.673 (BAF = 47.11)

log Kow used: 3.85 (estimated)

Volatilization from Water:

Henry LC: 8.21E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1168 hours (48.67 days)

Half-Life from Model Lake : 1.288E+004 hours (536.7 days)

Removal In Wastewater Treatment:

Total removal: 23.75 percent

Total biodegradation: 0.27 percent

Total sludge adsorption: 23.44 percent

Total to Air: 0.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.734 52.6 1000

Water 14.1 1.44e+003 1000

Soil 84.4 2.88e+003 1000

Sediment 0.721 1.3e+004 0

Persistence Time: 1.71e+003 hr

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