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CAS Num: 007367-81-9



MOL FOR: C9 H16 O2

MOL WT : 156.23

------------------------------ 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) = 3.10

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

Boiling Pt (deg C): 197.05 (Adapted Stein & Brown method)

Melting Pt (deg C): -21.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.418 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 55.7 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 158.9

log Kow used: 3.10 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 315.43 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 4.50E-004 atm-m3/mole (4.56E+001 Pa-m3/mole)

Group Method: 2.18E-004 atm-m3/mole (2.21E+001 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: 5.408E-004 atm-m3/mole (5.479E+001 Pa-m3/mole)

VP: 0.418 mm Hg (source: MPBPVP)

WS: 159 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.10 (KowWin est)

Log Kaw used: -1.735 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.835

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9558

Biowin2 (Non-Linear Model) : 0.9988

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2925 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1204 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8020

Biowin6 (MITI Non-Linear Model): 0.9068

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4880

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): 50.9 Pa (0.382 mm Hg)

Log Koa (Koawin est ): 4.835

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

Mackay model : 5.89E-008

Octanol/air (Koa) model: 1.68E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.13E-006

Mackay model : 4.71E-006

Octanol/air (Koa) model: 1.34E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 25.2486 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 27.9086 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 5.084 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 4.599 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):

3.42E-006 (Junge-Pankow, Mackay avg)

1.34E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 117.5 L/kg (MCI method)

Log Koc: 2.070 (MCI method)

Koc : 375.2 L/kg (Kow method)

Log Koc: 2.574 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.354E-003 L/mol-sec

Kb Half-Life at pH 8: 2.348 years

Kb Half-Life at pH 7: 23.480 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.715 (BCF = 51.94 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9252 days (HL = 0.1188 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.555 (BCF = 35.86)

Log BAF Arnot-Gobas method (upper trophic) = 1.555 (BAF = 35.86)

log Kow used: 3.10 (estimated)

Volatilization from Water:

Henry LC: 0.000218 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.632 hours

Half-Life from Model Lake : 155.3 hours (6.473 days)

Removal In Wastewater Treatment:

Total removal: 15.26 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 6.17 percent

Total to Air: 8.97 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.13 8.4 1000

Water 27.3 208 1000

Soil 70.5 416 1000

Sediment 0.151 1.87e+003 0

Persistence Time: 231 hr

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