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CAS Num: 000629-96-9


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

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