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CAS Number:



MOL FOR: C14 H26 O1

MOL WT : 210.36

------------------------------ 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) = 4.44

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

Boiling Pt (deg C): 268.93 (Adapted Stein & Brown method)

Melting Pt (deg C): 68.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000374 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0499 (Modified Grain method)

Subcooled liquid VP: 0.00097 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 20.37

log Kow used: 4.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 43.929 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 2.08E-005 atm-m3/mole (2.11E+000 Pa-m3/mole)

Group Method: 7.56E-006 atm-m3/mole (7.66E-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: 5.082E-006 atm-m3/mole (5.149E-001 Pa-m3/mole)

VP: 0.000374 mm Hg (source: MPBPVP)

WS: 20.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.44 (KowWin est)

Log Kaw used: -3.070 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.510

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0956

Biowin2 (Non-Linear Model) : 0.0058

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0979 (months )

Biowin4 (Primary Survey Model) : 3.0839 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4216

Biowin6 (MITI Non-Linear Model): 0.2723

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1655

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): 0.129 Pa (0.00097 mm Hg)

Log Koa (Koawin est ): 7.510

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

Mackay model : 2.32E-005

Octanol/air (Koa) model: 7.94E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000837

Mackay model : 0.00185

Octanol/air (Koa) model: 0.000635

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.1519 E-12 cm3/molecule-sec

Half-Life = 0.558 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.702 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00134 (Junge-Pankow, Mackay avg)

0.000635 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 634.5 L/kg (MCI method)

Log Koc: 2.802 (MCI method)

Koc : 932.3 L/kg (Kow method)

Log Koc: 2.970 (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 = 2.594 (BCF = 392.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6098 days (HL = 4.072 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.021 (BCF = 1048)

Log BAF Arnot-Gobas method (upper trophic) = 3.030 (BAF = 1071)

log Kow used: 4.44 (estimated)

Volatilization from Water:

Henry LC: 7.56E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 113.8 hours (4.742 days)

Half-Life from Model Lake : 1363 hours (56.8 days)

Removal In Wastewater Treatment:

Total removal: 52.96 percent

Total biodegradation: 0.50 percent

Total sludge adsorption: 52.28 percent

Total to Air: 0.19 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.374 13.4 1000

Water 15 1.44e+003 1000

Soil 84 2.88e+003 1000

Sediment 0.594 1.3e+004 0

Persistence Time: 1.52e+003 hr

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