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CAS Num: 000629-96-9
SMILES : OCCCCCCCCCCCCCCCCCCCC
CHEM : 1-Eicosanol
MOL FOR: C20 H42 O1
MOL WT : 298.56
------------------------------ 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) = 8.70
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 377.87 (Adapted Stein & Brown method)
Melting Pt (deg C): 104.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 6.66E-005 (Modified Grain method)
MP (exp database): 66.1 deg C
BP (exp database): 372 deg C
VP (exp database): 4.52E-08 mm Hg (6.03E-006 Pa) at 25 deg C
Subcooled liquid VP: 1.15E-007 mm Hg (25 deg C, exp database VP )
: 1.54E-005 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.00151
log Kow used: 8.70 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00063219 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.29E-004 atm-m3/mole (9.42E+001 Pa-m3/mole)
Group Method: 2.45E-003 atm-m3/mole (2.48E+002 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: 1.301E-004 atm-m3/mole (1.318E+001 Pa-m3/mole)
VP: 5E-007 mm Hg (source: MPBPVP)
WS: 0.00151 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.70 (KowWin est)
Log Kaw used: -1.420 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.120
Log Koa (experimental database): 12.060
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8726
Biowin2 (Non-Linear Model) : 0.8495
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9977 (weeks )
Biowin4 (Primary Survey Model) : 3.8155 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9244
Biowin6 (MITI Non-Linear Model): 0.9565
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0654
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): 1.53E-005 Pa (1.15E-007 mm Hg)
Log Koa (Exp database): 12.060
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.196
Octanol/air (Koa) model: 0.282
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.876
Mackay model : 0.94
Octanol/air (Koa) model: 0.958
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 29.4988 E-12 cm3/molecule-sec
Half-Life = 0.363 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.351 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.908 (Junge-Pankow, Mackay avg)
0.958 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.138E+004 L/kg (MCI method)
Log Koc: 4.711 (MCI method)
Koc : 2.118E+005 L/kg (Kow method)
Log Koc: 5.326 (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 = 2.695 (BCF = 495.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0480 days (HL = 11.17 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.638 (BCF = 43.49)
Log BAF Arnot-Gobas method (upper trophic) = 3.861 (BAF = 7261)
log Kow used: 8.70 (estimated)
Volatilization from Water:
Henry LC: 0.000929 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.852 hours
Half-Life from Model Lake : 176 hours (7.333 days)
Removal In Wastewater Treatment:
Total removal: 94.03 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.25 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.726 8.7 1000
Water 22.8 360 1000
Soil 75.1 720 1000
Sediment 1.33 3.24e+003 0
Persistence Time: 489 hr