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CAS Number: 57866-08-7
SMILES : CCCCCCCCCCCCCCCCCCCCCCCC=O
CHEM : tetracosanal
MOL FOR: C24 H48 O1
MOL WT : 352.65
------------------------------ 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) = 10.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 410.25 (Adapted Stein & Brown method)
Melting Pt (deg C): 127.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.43E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 5.91E-005 (Modified Grain method)
Subcooled liquid VP: 4.68E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000624 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.908e-006
log Kow used: 10.64 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.85e-006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aldehydes (Mono)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.46E-002 atm-m3/mole (3.50E+003 Pa-m3/mole)
Group Method: 1.20E-001 atm-m3/mole (1.21E+004 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: 4.188E-002 atm-m3/mole (4.244E+003 Pa-m3/mole)
VP: 4.43E-007 mm Hg (source: MPBPVP)
WS: 4.91E-006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.64 (KowWin est)
Log Kaw used: 0.151 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.489
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9727
Biowin2 (Non-Linear Model) : 0.9991
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7405 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8047 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.1620
Biowin6 (MITI Non-Linear Model): 0.9896
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1331
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.000624 Pa (4.68E-006 mm Hg)
Log Koa (Koawin est ): 10.489
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00481
Octanol/air (Koa) model: 0.00757
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.148
Mackay model : 0.278
Octanol/air (Koa) model: 0.377
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 54.2660 E-12 cm3/molecule-sec
Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.365 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.213 (Junge-Pankow, Mackay avg)
0.377 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.929E+005 L/kg (MCI method)
Log Koc: 5.467 (MCI method)
Koc : 3.812E+006 L/kg (Kow method)
Log Koc: 6.581 (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 = 1.745 (BCF = 55.56 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.8861 days (HL = 76.92 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.588 (BCF = 3.876)
Log BAF Arnot-Gobas method (upper trophic) = 3.762 (BAF = 5775)
log Kow used: 10.64 (estimated)
Volatilization from Water:
Henry LC: 0.12 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.925 hours
Half-Life from Model Lake : 178.5 hours (7.436 days)
Removal In Wastewater Treatment:
Total removal: 94.04 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 0.252 4.73 1000
Water 19.9 900 1000
Soil 79.7 1.8e+003 1000
Sediment 0.159 8.1e+003 0
Persistence Time: 949 hr