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CAS Number: 1339119-15-1



MOL FOR: C12 H18 O1

MOL WT : 178.28

------------------------------ 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) = 3.01

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

Boiling Pt (deg C): 253.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 34.86 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0186 (Modified Grain method)

VP (Pa, 25 deg C) : 2.48 (Modified Grain method)

Subcooled liquid VP: 0.0228 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 149.7

log Kow used: 3.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 59.265 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 9.89E-005 atm-m3/mole (1.00E+001 Pa-m3/mole)

Group Method: 7.22E-006 atm-m3/mole (7.31E-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: 2.915E-005 atm-m3/mole (2.953E+000 Pa-m3/mole)

VP: 0.0186 mm Hg (source: MPBPVP)

WS: 150 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.01 (KowWin est)

Log Kaw used: -2.393 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.403

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9473

Biowin2 (Non-Linear Model) : 0.9995

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8275 (weeks )

Biowin4 (Primary Survey Model) : 3.7872 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8034

Biowin6 (MITI Non-Linear Model): 0.7479

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5818

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): 3.04 Pa (0.0228 mm Hg)

Log Koa (Koawin est ): 5.403

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

Mackay model : 9.87E-007

Octanol/air (Koa) model: 6.21E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.56E-005

Mackay model : 7.89E-005

Octanol/air (Koa) model: 4.97E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 39.0583 E-12 cm3/molecule-sec

Half-Life = 0.274 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.286 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.73E-005 (Junge-Pankow, Mackay avg)

4.97E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 214 L/kg (MCI method)

Log Koc: 2.330 (MCI method)

Koc : 229.5 L/kg (Kow method)

Log Koc: 2.361 (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 = 1.656 (BCF = 45.26 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3947 days (HL = 2.482 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.999 (BCF = 99.75)

Log BAF Arnot-Gobas method (upper trophic) = 1.999 (BAF = 99.78)

log Kow used: 3.01 (estimated)

Volatilization from Water:

Henry LC: 7.22E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 109.6 hours (4.568 days)

Half-Life from Model Lake : 1308 hours (54.5 days)

Removal In Wastewater Treatment:

Total removal: 6.15 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 5.64 percent

Total to Air: 0.39 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.665 6.57 1000

Water 26.1 360 1000

Soil 73 720 1000

Sediment 0.262 3.24e+003 0

Persistence Time: 448 hr

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