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CAS Number: 1338-02-9
SMILES : O=C(O[Cu])CCCCCCC1CC(CC1)C
CHEM : Copper naphthenate
MOL FOR: C13 H23 O2 Cu1
MOL WT : 274.87
------------------------------ 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) = 4.17
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 322.81 (Adapted Stein & Brown method)
Melting Pt (deg C): 92.71 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000128 (Modified Grain method)
VP (Pa, 25 deg C) : 0.017 (Modified Grain method)
VP (exp database): 9.98E+05 mm Hg (1.33E+008 Pa) at 100 deg C
Subcooled liquid VP: 0.000577 mm Hg (25 deg C, Mod-Grain method)
: 0.0769 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4.722
log Kow used: 4.17 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.6899 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
SHOULD NOT BE PROFILED
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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: 9.804E-006 atm-m3/mole (9.934E-001 Pa-m3/mole)
VP: 0.000128 mm Hg (source: MPBPVP)
WS: 4.72 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6167
Biowin2 (Non-Linear Model) : 0.2902
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5917 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4512 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2754
Biowin6 (MITI Non-Linear Model): 0.0861
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6313
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): 0.0769 Pa (0.000577 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.9E-005
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00141
Mackay model : 0.00311
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 14.4906 E-12 cm3/molecule-sec
Half-Life = 0.738 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.858 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00226 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1046 L/kg (MCI method)
Log Koc: 3.019 (MCI method)
Koc : 1005 L/kg (Kow method)
Log Koc: 3.002 (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 = 2.417 (BCF = 261.4 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2566 days (HL = 0.5539 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.309 (BCF = 203.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.309 (BAF = 203.9)
log Kow used: 4.17 (estimated)
Volatilization from Water:
Henry LC: 9.8E-006 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 100.7 hours (4.196 days)
Half-Life from Model Lake : 1238 hours (51.57 days)
Removal In Wastewater Treatment:
Total removal: 38.63 percent
Total biodegradation: 0.38 percent
Total sludge adsorption: 37.92 percent
Total to Air: 0.33 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.679 17.7 1000
Water 17.7 900 1000
Soil 80.6 1.8e+003 1000
Sediment 1.03 8.1e+003 0
Persistence Time: 1.04e+003 hr