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: 16196-32-0
SMILES : Cc1ccc(cc1)C2(CCC(=O)C2(C)C)C
CHEM :
MOL FOR: C15 H20 O1
MOL WT : 216.33
------------------------------ 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) = 4.14
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 308.49 (Adapted Stein & Brown method)
Melting Pt (deg C): 86.67 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000318 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0424 (Modified Grain method)
Subcooled liquid VP: 0.00124 mm Hg (25 deg C, Mod-Grain method)
: 0.166 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 10.47
log Kow used: 4.14 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 13.067 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.03E-006 atm-m3/mole (8.13E-001 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: 8.645E-006 atm-m3/mole (8.760E-001 Pa-m3/mole)
VP: 0.000318 mm Hg (source: MPBPVP)
WS: 10.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.14 (KowWin est)
Log Kaw used: -3.484 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.624
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3382
Biowin2 (Non-Linear Model) : 0.0328
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1995 (months )
Biowin4 (Primary Survey Model) : 3.1380 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4366
Biowin6 (MITI Non-Linear Model): 0.3167
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.4565
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): 0.165 Pa (0.00124 mm Hg)
Log Koa (Koawin est ): 7.624
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.81E-005
Octanol/air (Koa) model: 1.03E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000655
Mackay model : 0.00145
Octanol/air (Koa) model: 0.000826
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 10.8896 E-12 cm3/molecule-sec
Half-Life = 0.982 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.787 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00105 (Junge-Pankow, Mackay avg)
0.000826 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2072 L/kg (MCI method)
Log Koc: 3.316 (MCI method)
Koc : 2574 L/kg (Kow method)
Log Koc: 3.411 (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 = 2.399 (BCF = 250.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0605 days (HL = 1.149 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.560 (BCF = 363)
Log BAF Arnot-Gobas method (upper trophic) = 2.560 (BAF = 363.3)
log Kow used: 4.14 (estimated)
Volatilization from Water:
Henry LC: 8.03E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 108.7 hours (4.531 days)
Half-Life from Model Lake : 1310 hours (54.57 days)
Removal In Wastewater Treatment:
Total removal: 37.06 percent
Total biodegradation: 0.37 percent
Total sludge adsorption: 36.41 percent
Total to Air: 0.28 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.542 23.6 1000
Water 13.6 1.44e+003 1000
Soil 84 2.88e+003 1000
Sediment 1.95 1.3e+004 0
Persistence Time: 1.62e+003 hr