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CAS Number: 1502-06-3
SMILES : O=C(CCCCC1)CCCC1
CHEM : CYCLODECANONE
MOL FOR: C10 H18 O1
MOL WT : 154.25
------------------------------ 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) = 3.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 241.81 (Adapted Stein & Brown method)
Melting Pt (deg C): 11.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0605 (Modified Grain method)
VP (Pa, 25 deg C) : 8.07 (Modified Grain method)
MP (exp database): 28 deg C
Subcooled liquid VP: 0.0643 mm Hg (25 deg C, Mod-Grain method)
: 8.58 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 166.8
log Kow used: 3.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3285.5 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.59E-004 atm-m3/mole (1.61E+001 Pa-m3/mole)
Group Method: 5.11E-005 atm-m3/mole (5.18E+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: 7.362E-005 atm-m3/mole (7.459E+000 Pa-m3/mole)
VP: 0.0605 mm Hg (source: MPBPVP)
WS: 167 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.09 (KowWin est)
Log Kaw used: -2.187 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.277
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6809
Biowin2 (Non-Linear Model) : 0.5903
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8358 (weeks )
Biowin4 (Primary Survey Model) : 3.6030 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5485
Biowin6 (MITI Non-Linear Model): 0.7378
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6359
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 8.57 Pa (0.0643 mm Hg)
Log Koa (Koawin est ): 5.277
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.5E-007
Octanol/air (Koa) model: 4.65E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.26E-005
Mackay model : 2.8E-005
Octanol/air (Koa) model: 3.72E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.7493 E-12 cm3/molecule-sec
Half-Life = 0.603 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.231 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.03E-005 (Junge-Pankow, Mackay avg)
3.72E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 191.7 L/kg (MCI method)
Log Koc: 2.283 (MCI method)
Koc : 675.9 L/kg (Kow method)
Log Koc: 2.830 (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 = 1.706 (BCF = 50.81 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2967 days (HL = 0.5051 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.903 (BCF = 80.07)
Log BAF Arnot-Gobas method (upper trophic) = 1.903 (BAF = 80.07)
log Kow used: 3.09 (estimated)
Volatilization from Water:
Henry LC: 5.11E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 15.5 hours
Half-Life from Model Lake : 273.2 hours (11.38 days)
Removal In Wastewater Treatment:
Total removal: 8.97 percent
Total biodegradation: 0.13 percent
Total sludge adsorption: 6.31 percent
Total to Air: 2.53 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.59 14.5 1000
Water 24.6 360 1000
Soil 73.6 720 1000
Sediment 0.228 3.24e+003 0
Persistence Time: 426 hr