This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 83469-85-6
SMILES : CCCCCCCCCCc1ccco1
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