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: 4612-63-9
SMILES : c(ccc1C2)cc1c(cc(c3C)C)c2c3
CHEM : 9H-FLUORENE, 2,3-DIMETHYL-
MOL FOR: C15 H14
MOL WT : 194.28
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 5.11
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 321.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 88.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000156 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0208 (Modified Grain method)
Subcooled liquid VP: 0.000635 mm Hg (25 deg C, Mod-Grain method)
: 0.0846 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1571
log Kow used: 5.11 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.20387 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.04E-004 atm-m3/mole (2.06E+001 Pa-m3/mole)
Group Method: 3.97E-005 atm-m3/mole (4.02E+000 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: 2.538E-004 atm-m3/mole (2.572E+001 Pa-m3/mole)
VP: 0.000156 mm Hg (source: MPBPVP)
WS: 0.157 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.11 (KowWin est)
Log Kaw used: -2.079 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.189
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8191
Biowin2 (Non-Linear Model) : 0.8788
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5453 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3619 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2107
Biowin6 (MITI Non-Linear Model): 0.1333
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6018
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.5876
BioHC Half-Life (days) : 38.6916
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0847 Pa (0.000635 mm Hg)
Log Koa (Koawin est ): 7.189
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.54E-005
Octanol/air (Koa) model: 3.79E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00128
Mackay model : 0.00283
Octanol/air (Koa) model: 0.000303
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.2035 E-12 cm3/molecule-sec
Half-Life = 0.588 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.051 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00205 (Junge-Pankow, Mackay avg)
0.000303 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.406E+004 L/kg (MCI method)
Log Koc: 4.381 (MCI method)
Koc : 2.72E+004 L/kg (Kow method)
Log Koc: 4.435 (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 = 3.039 (BCF = 1093 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0012 days (HL = 1.003 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.603 (BCF = 400.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.606 (BAF = 403.3)
log Kow used: 5.11 (estimated)
Volatilization from Water:
Henry LC: 3.97E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 21.98 hours
Half-Life from Model Lake : 356.6 hours (14.86 days)
Removal In Wastewater Treatment:
Total removal: 81.01 percent
Total biodegradation: 0.70 percent
Total sludge adsorption: 80.01 percent
Total to Air: 0.30 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.524 14.1 1000
Water 12.2 900 1000
Soil 70.6 1.8e+003 1000
Sediment 16.7 8.1e+003 0
Persistence Time: 1.23e+003 hr