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CAS Num: 000112-43-6
SMILES : OCCCCCCCCCC=C
CHEM : 10-Undecen-1-ol
MOL FOR: C11 H22 O1
MOL WT : 170.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.14
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 254.95 (Adapted Stein & Brown method)
Melting Pt (deg C): 17.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00325 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 0.434 (Mean VP of Antoine & Grain methods)
MP (exp database): -2 deg C
BP (exp database): 250 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 57.53
log Kow used: 4.14 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 25.41 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.41E-005 atm-m3/mole (5.48E+000 Pa-m3/mole)
Group Method: 3.46E-005 atm-m3/mole (3.50E+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: 1.266E-005 atm-m3/mole (1.283E+000 Pa-m3/mole)
VP: 0.00325 mm Hg (source: MPBPVP)
WS: 57.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.14 (KowWin est)
Log Kaw used: -2.655 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.795
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8252
Biowin2 (Non-Linear Model) : 0.8466
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9828 (weeks )
Biowin4 (Primary Survey Model) : 3.7315 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8300
Biowin6 (MITI Non-Linear Model): 0.9285
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9822
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): 0.421 Pa (0.00316 mm Hg)
Log Koa (Koawin est ): 6.795
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.12E-006
Octanol/air (Koa) model: 1.53E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000257
Mackay model : 0.000569
Octanol/air (Koa) model: 0.000122
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 41.5010 E-12 cm3/molecule-sec
Half-Life = 0.258 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.093 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):
0.000413 (Junge-Pankow, Mackay avg)
0.000122 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 231.7 L/kg (MCI method)
Log Koc: 2.365 (MCI method)
Koc : 636.2 L/kg (Kow method)
Log Koc: 2.804 (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 = 1.026 (BCF = 10.61 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2480 days (HL = 0.5649 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.313 (BCF = 205.6)
Log BAF Arnot-Gobas method (upper trophic) = 2.313 (BAF = 205.7)
log Kow used: 4.14 (estimated)
Volatilization from Water:
Henry LC: 5.41E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 15.45 hours
Half-Life from Model Lake : 278 hours (11.58 days)
Removal In Wastewater Treatment:
Total removal: 38.22 percent
Total biodegradation: 0.37 percent
Total sludge adsorption: 36.10 percent
Total to Air: 1.75 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.609 4.87 1000
Water 24.3 360 1000
Soil 74.8 720 1000
Sediment 0.259 3.24e+003 0
Persistence Time: 424 hr