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CAS Number: 506-51-4
SMILES : OCCCCCCCCCCCCCCCCCCCCCCCC
CHEM : 1-Tetracosanol
MOL FOR: C24 H50 O1
MOL WT : 354.67
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 10.66
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 424.29 (Adapted Stein & Brown method)
Melting Pt (deg C): 140.99 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.4E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 3.19E-007 (Modified Grain method)
Subcooled liquid VP: 3.56E-008 mm Hg (25 deg C, Mod-Grain method)
: 4.74E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.471e-005
log Kow used: 10.66 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.3403e-006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.89E-003 atm-m3/mole (2.92E+002 Pa-m3/mole)
Group Method: 9.74E-003 atm-m3/mole (9.87E+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: 7.614E-005 atm-m3/mole (7.715E+000 Pa-m3/mole)
VP: 2.4E-009 mm Hg (source: MPBPVP)
WS: 1.47E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.66 (KowWin est)
Log Kaw used: -0.928 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.588
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8459
Biowin2 (Non-Linear Model) : 0.7179
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8737 (weeks )
Biowin4 (Primary Survey Model) : 3.7346 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9551
Biowin6 (MITI Non-Linear Model): 0.9604
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1693
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): 4.75E-006 Pa (3.56E-008 mm Hg)
Log Koa (Koawin est ): 11.588
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.632
Octanol/air (Koa) model: 0.0951
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.958
Mackay model : 0.981
Octanol/air (Koa) model: 0.884
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.1510 E-12 cm3/molecule-sec
Half-Life = 0.304 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.651 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.969 (Junge-Pankow, Mackay avg)
0.884 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.668E+005 L/kg (MCI method)
Log Koc: 5.753 (MCI method)
Koc : 2.571E+006 L/kg (Kow method)
Log Koc: 6.410 (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 = 1.733 (BCF = 54.03 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.6046 days (HL = 40.24 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.395 (BCF = 2.483)
Log BAF Arnot-Gobas method (upper trophic) = 3.229 (BAF = 1693)
log Kow used: 10.66 (estimated)
Volatilization from Water:
Henry LC: 0.00289 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.303 hours
Half-Life from Model Lake : 183 hours (7.627 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.468 7.3 1000
Water 21.8 360 1000
Soil 77.5 720 1000
Sediment 0.16 3.24e+003 0
Persistence Time: 533 hr