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CAS Number: 83469-85-6


CHEM : 2-decylfuran

MOL FOR: C14 H24 O1

MOL WT : 208.35

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 6.33

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

Boiling Pt (deg C): 269.21 (Adapted Stein & Brown method)

Melting Pt (deg C): 36.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00771 (Modified Grain method)

VP (Pa, 25 deg C) : 1.03 (Modified Grain method)

Subcooled liquid VP: 0.00985 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.1557

log Kow used: 6.33 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.17092 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.60E-002 atm-m3/mole (7.70E+003 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.358E-002 atm-m3/mole (1.376E+003 Pa-m3/mole)

VP: 0.00771 mm Hg (source: MPBPVP)

WS: 0.156 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.33 (KowWin est)

Log Kaw used: 0.492 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.838

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8115

Biowin2 (Non-Linear Model) : 0.9221

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9622 (weeks )

Biowin4 (Primary Survey Model) : 3.7477 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4570

Biowin6 (MITI Non-Linear Model): 0.5504

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2386

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): 1.31 Pa (0.00985 mm Hg)

Log Koa (Koawin est ): 5.838

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

Mackay model : 2.28E-006

Octanol/air (Koa) model: 1.69E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.25E-005

Mackay model : 0.000183

Octanol/air (Koa) model: 1.35E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 112.9926 E-12 cm3/molecule-sec

Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.136 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000133 (Junge-Pankow, Mackay avg)

1.35E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.979E+004 L/kg (MCI method)

Log Koc: 4.474 (MCI method)

Koc : 3.115E+005 L/kg (Kow method)

Log Koc: 5.493 (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 = 2.469 (BCF = 294.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6304 days (HL = 4.27 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.072 (BCF = 1180)

Log BAF Arnot-Gobas method (upper trophic) = 3.510 (BAF = 3233)

log Kow used: 6.33 (estimated)

Volatilization from Water:

Henry LC: 0.076 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.484 hours

Half-Life from Model Lake : 137.2 hours (5.718 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 95.84 percent

Total biodegradation: 0.54 percent

Total sludge adsorption: 79.35 percent

Total to Air: 15.95 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.516 2.27 1000

Water 17.9 360 1000

Soil 67.7 720 1000

Sediment 13.8 3.24e+003 0

Persistence Time: 353 hr

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