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CAS Number: 293-96-9
SMILES : C(CCCCCCCC1)C1
CHEM : Cyclodecane
MOL FOR: C10 H20
MOL WT : 140.27
------------------------------ 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) = 5.14
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 187.69 (Adapted Stein & Brown method)
Melting Pt (deg C): -38.62 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.47 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 62.7 (Mean VP of Antoine & Grain methods)
MP (exp database): 10 deg C
BP (exp database): 202 deg C
VP (exp database): 5.60E-01 mm Hg (7.47E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.9891
log Kow used: 5.14 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.8596 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.92E-001 atm-m3/mole (8.03E+004 Pa-m3/mole)
Group Method: 7.73E-001 atm-m3/mole (7.84E+004 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: 8.770E-002 atm-m3/mole (8.886E+003 Pa-m3/mole)
VP: 0.47 mm Hg (source: MPBPVP)
WS: 0.989 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.14 (KowWin est)
Log Kaw used: 1.510 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.630
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6808
Biowin2 (Non-Linear Model) : 0.7344
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8892 (weeks )
Biowin4 (Primary Survey Model) : 3.6454 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4921
Biowin6 (MITI Non-Linear Model): 0.6988
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3641
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.0984
BioHC Half-Life (days) : 125.4396
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 74.7 Pa (0.56 mm Hg)
Log Koa (Koawin est ): 3.630
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.02E-008
Octanol/air (Koa) model: 1.05E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.45E-006
Mackay model : 3.21E-006
Octanol/air (Koa) model: 8.38E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 14.1305 E-12 cm3/molecule-sec
Half-Life = 0.757 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.083 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.33E-006 (Junge-Pankow, Mackay avg)
8.38E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1608 L/kg (MCI method)
Log Koc: 3.206 (MCI method)
Koc : 2.888E+004 L/kg (Kow method)
Log Koc: 4.461 (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 = 3.058 (BCF = 1144 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6455 days (HL = 4.421 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.190 (BCF = 1549)
Log BAF Arnot-Gobas method (upper trophic) = 3.242 (BAF = 1744)
log Kow used: 5.14 (estimated)
Volatilization from Water:
Henry LC: 0.792 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.209 hours
Half-Life from Model Lake : 112.5 hours (4.688 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.77 percent
Total biodegradation: 0.16 percent
Total sludge adsorption: 51.04 percent
Total to Air: 48.57 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 19.6 18.2 1000
Water 71.3 360 1000
Soil 5.35 720 1000
Sediment 3.81 3.24e+003 0
Persistence Time: 86.4 hr