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CAS Number: 5205-32-3



MOL FOR: C8 H10 O2

MOL WT : 138.17

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 2.39

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

Boiling Pt (deg C): 261.07 (Adapted Stein & Brown method)

Melting Pt (deg C): 45.45 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00978 (Modified Grain method)

VP (Pa, 25 deg C) : 1.3 (Modified Grain method)

Subcooled liquid VP: 0.015 mm Hg (25 deg C, Mod-Grain method)

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

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 1931

log Kow used: 2.39 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2215 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 7.22E-007 atm-m3/mole (7.31E-002 Pa-m3/mole)

Group Method: 2.18E-008 atm-m3/mole (2.21E-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: 9.208E-007 atm-m3/mole (9.330E-002 Pa-m3/mole)

VP: 0.00978 mm Hg (source: MPBPVP)

WS: 1.93E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.39 (KowWin est)

Log Kaw used: -4.530 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.920

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8629

Biowin2 (Non-Linear Model) : 0.9716

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.5568 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3030 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5198

Biowin6 (MITI Non-Linear Model): 0.4656

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1844

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): 2 Pa (0.015 mm Hg)

Log Koa (Koawin est ): 6.920

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

Mackay model : 1.5E-006

Octanol/air (Koa) model: 2.04E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.42E-005

Mackay model : 0.00012

Octanol/air (Koa) model: 0.000163

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 138.1350 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 140.3960 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 0.929 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.914 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 5.352500 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 5.440000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 5.139 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 5.056 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

8.71E-005 (Junge-Pankow, Mackay avg)

0.000163 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 28.94 L/kg (MCI method)

Log Koc: 1.462 (MCI method)

Koc : 30.04 L/kg (Kow method)

Log Koc: 1.478 (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 v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0953 days (HL = 1.245 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.404 (BCF = 25.34)

Log BAF Arnot-Gobas method (upper trophic) = 1.404 (BAF = 25.34)

log Kow used: 2.39 (estimated)

Volatilization from Water:

Henry LC: 2.18E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.157E+004 hours (1315 days)

Half-Life from Model Lake : 3.445E+005 hours (1.435E+004 days)

Removal In Wastewater Treatment:

Total removal: 2.82 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.72 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 0.182 1.36 1000

Water 30.8 208 1000

Soil 68.9 416 1000

Sediment 0.0859 1.87e+003 0

Persistence Time: 292 hr

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