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CAS Number: 821-95-4
SMILES : C(=C)CCCCCCCCC
CHEM : 1-Undecene
MOL FOR: C11 H22
MOL WT : 154.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 5.61
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 184.07 (Adapted Stein & Brown method)
Melting Pt (deg C): -33.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.731 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 97.5 (Mean VP of Antoine & Grain methods)
MP (exp database): -49.2 deg C
BP (exp database): 192.7 deg C
VP (exp database): 4.93E-01 mm Hg (6.57E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.3432
log Kow used: 5.61 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.13312 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.48E+000 atm-m3/mole (1.50E+005 Pa-m3/mole)
Group Method: 3.01E+000 atm-m3/mole (3.05E+005 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: 4.324E-001 atm-m3/mole (4.382E+004 Pa-m3/mole)
VP: 0.731 mm Hg (source: MPBPVP)
WS: 0.343 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.61 (KowWin est)
Log Kaw used: 1.782 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.828
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7825
Biowin2 (Non-Linear Model) : 0.9347
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1565 (weeks )
Biowin4 (Primary Survey Model) : 3.8942 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6674
Biowin6 (MITI Non-Linear Model): 0.8337
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4261
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.9042
BioHC Half-Life (days) : 8.0200
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 65.7 Pa (0.493 mm Hg)
Log Koa (Koawin est ): 3.828
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.56E-008
Octanol/air (Koa) model: 1.65E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.65E-006
Mackay model : 3.65E-006
Octanol/air (Koa) model: 1.32E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 37.2432 E-12 cm3/molecule-sec
Half-Life = 0.287 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.446 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
2.65E-006 (Junge-Pankow, Mackay avg)
1.32E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2644 L/kg (MCI method)
Log Koc: 3.422 (MCI method)
Koc : 7.388E+004 L/kg (Kow method)
Log Koc: 4.869 (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 v3.00):
Log BCF from regression-based method = 1.992 (BCF = 98.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5598 days (HL = 3.629 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.675 (BCF = 473)
Log BAF Arnot-Gobas method (upper trophic) = 2.689 (BAF = 488.2)
log Kow used: 5.61 (estimated)
Volatilization from Water:
Henry LC: 1.48 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.268 hours
Half-Life from Model Lake : 118 hours (4.916 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.83 percent
Total biodegradation: 0.18 percent
Total sludge adsorption: 56.94 percent
Total to Air: 42.72 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 7.51 5.3 1000
Water 80.4 360 1000
Soil 5.38 720 1000
Sediment 6.67 3.24e+003 0
Persistence Time: 77 hr