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CAS Number: 935-31-9
SMILES : C(=CCCCC1)CCCC1
CHEM : CYCLODECENE, (Z)-
MOL FOR: C10 H18
MOL WT : 138.26
------------------------------ 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) = 4.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 190.37 (Adapted Stein & Brown method)
Melting Pt (deg C): -37.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.656 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 87.4 (Mean VP of Antoine & Grain methods)
BP (exp database): 195 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.539
log Kow used: 4.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 14.507 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.06E-001 atm-m3/mole (2.08E+004 Pa-m3/mole)
Group Method: 2.03E-001 atm-m3/mole (2.06E+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: 7.754E-002 atm-m3/mole (7.857E+003 Pa-m3/mole)
VP: 0.656 mm Hg (source: MPBPVP)
WS: 1.54 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.93 (KowWin est)
Log Kaw used: 0.925 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.005
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6817
Biowin2 (Non-Linear Model) : 0.7399
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8936 (weeks )
Biowin4 (Primary Survey Model) : 3.6483 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4710
Biowin6 (MITI Non-Linear Model): 0.6186
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2711
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.1866
BioHC Half-Life (days) : 15.3689
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 80.1 Pa (0.601 mm Hg)
Log Koa (Koawin est ): 4.005
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.74E-008
Octanol/air (Koa) model: 2.48E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.35E-006
Mackay model : 2.99E-006
Octanol/air (Koa) model: 1.99E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 67.1759 E-12 cm3/molecule-sec
Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.911 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec
Half-Life = 0.057 Days (at 7E11 mol/cm3)
Half-Life = 1.375 Hrs
Fraction sorbed to airborne particulates (phi):
2.17E-006 (Junge-Pankow, Mackay avg)
1.99E-007 (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 : 1.898E+004 L/kg (Kow method)
Log Koc: 4.278 (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 = 2.917 (BCF = 825.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5898 days (HL = 3.888 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.121 (BCF = 1322)
Log BAF Arnot-Gobas method (upper trophic) = 3.147 (BAF = 1402)
log Kow used: 4.93 (estimated)
Volatilization from Water:
Henry LC: 0.206 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.203 hours
Half-Life from Model Lake : 111.7 hours (4.655 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.16 percent
Total biodegradation: 0.16 percent
Total sludge adsorption: 47.20 percent
Total to Air: 51.81 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.42 1.01 1000
Water 75.6 360 1000
Soil 18.9 720 1000
Sediment 4.05 3.24e+003 0
Persistence Time: 81.4 hr