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CAS Num: 001871-67-6



MOL FOR: C8 H14 O2

MOL WT : 142.20

------------------------------ 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) = 2.82

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

Boiling Pt (deg C): 250.48 (Adapted Stein & Brown method)

Melting Pt (deg C): 47.44 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0162 (Modified Grain method)

VP (Pa, 25 deg C) : 2.16 (Modified Grain method)

Subcooled liquid VP: 0.0259 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 797.6

log Kow used: 2.82 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 465.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 1.41E-006 atm-m3/mole (1.42E-001 Pa-m3/mole)

Group Method: 5.48E-007 atm-m3/mole (5.55E-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: 3.800E-006 atm-m3/mole (3.851E-001 Pa-m3/mole)

VP: 0.0162 mm Hg (source: MPBPVP)

WS: 798 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.82 (KowWin est)

Log Kaw used: -4.239 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.059

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8610

Biowin2 (Non-Linear Model) : 0.9700

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.5479 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2972 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6807

Biowin6 (MITI Non-Linear Model): 0.7941

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5825

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): 3.45 Pa (0.0259 mm Hg)

Log Koa (Koawin est ): 7.059

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

Mackay model : 8.69E-007

Octanol/air (Koa) model: 2.81E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.14E-005

Mackay model : 6.95E-005

Octanol/air (Koa) model: 0.000225

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 25.5510 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 28.2110 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 5.023 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 4.550 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.568750 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.015 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.007 Days (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

5.04E-005 (Junge-Pankow, Mackay avg)

0.000225 (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 : 51.95 L/kg (Kow method)

Log Koc: 1.716 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0815 days (HL = 0.8288 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.764 (BCF = 58.09)

Log BAF Arnot-Gobas method (upper trophic) = 1.764 (BAF = 58.09)

log Kow used: 2.82 (estimated)

Volatilization from Water:

Henry LC: 5.48E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1275 hours (53.14 days)

Half-Life from Model Lake : 1.401E+004 hours (583.8 days)

Removal In Wastewater Treatment:

Total removal: 4.45 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.31 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.29 8.32 1000

Water 32.7 208 1000

Soil 65.9 416 1000

Sediment 0.091 1.87e+003 0

Persistence Time: 269 hr

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