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CAS Number: 13151-61-6
SMILES : C1=CCCCCCCCCC1
CHEM :
MOL FOR: C11 H20
MOL WT : 152.28
------------------------------ 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) = 5.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 212.04 (Adapted Stein & Brown method)
Melting Pt (deg C): -27.25 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.29 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 38.7 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.5101
log Kow used: 5.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.4595 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.73E-001 atm-m3/mole (2.77E+004 Pa-m3/mole)
Group Method: 2.87E-001 atm-m3/mole (2.91E+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: 1.139E-001 atm-m3/mole (1.154E+004 Pa-m3/mole)
VP: 0.29 mm Hg (source: MPBPVP)
WS: 0.51 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.42 (KowWin est)
Log Kaw used: 1.048 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.372
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6750
Biowin2 (Non-Linear Model) : 0.6998
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8626 (weeks )
Biowin4 (Primary Survey Model) : 3.6280 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4490
Biowin6 (MITI Non-Linear Model): 0.5782
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3911
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.2754
BioHC Half-Life (days) : 18.8544
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 35.9 Pa (0.269 mm Hg)
Log Koa (Koawin est ): 4.372
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.36E-008
Octanol/air (Koa) model: 5.78E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.02E-006
Mackay model : 6.69E-006
Octanol/air (Koa) model: 4.62E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 68.5890 E-12 cm3/molecule-sec
Half-Life = 0.156 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.871 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):
4.86E-006 (Junge-Pankow, Mackay avg)
4.62E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2931 L/kg (MCI method)
Log Koc: 3.467 (MCI method)
Koc : 5.054E+004 L/kg (Kow method)
Log Koc: 4.704 (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 = 3.241 (BCF = 1740 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8010 days (HL = 6.324 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.337 (BCF = 2172)
Log BAF Arnot-Gobas method (upper trophic) = 3.499 (BAF = 3152)
log Kow used: 5.42 (estimated)
Volatilization from Water:
Henry LC: 0.273 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.262 hours
Half-Life from Model Lake : 117.2 hours (4.885 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.25 percent
Total biodegradation: 0.19 percent
Total sludge adsorption: 56.51 percent
Total to Air: 42.55 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.28 1.01 1000
Water 69.3 360 1000
Soil 23 720 1000
Sediment 6.37 3.24e+003 0
Persistence Time: 89.1 hr