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CAS Num: 000630-02-4
SMILES : C(CCCCCCCCCCCCCCCCCCCCCCCCCC)C
CHEM : Octacosane
MOL FOR: C28 H58
MOL WT : 394.77
------------------------------ 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) = 14.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 427.25 (Adapted Stein & Brown method)
Melting Pt (deg C): 133.98 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.55E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000206 (Modified Grain method)
MP (exp database): 64.5 deg C
BP (exp database): 431.6 deg C
VP (exp database): 1.60E-09 mm Hg (2.13E-007 Pa) at 25 deg C
Subcooled liquid VP: 3.93E-009 mm Hg (25 deg C, exp database VP )
: 5.24E-007 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 8.844e-010
log Kow used: 14.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.9477e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.70E+002 atm-m3/mole (8.82E+007 Pa-m3/mole)
Group Method: 3.38E+003 atm-m3/mole (3.42E+008 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: 9.104E+002 atm-m3/mole (9.224E+007 Pa-m3/mole)
VP: 1.55E-006 mm Hg (source: MPBPVP)
WS: 8.84E-010 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 14.09 (KowWin est)
Log Kaw used: 4.551 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.539
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7765
Biowin2 (Non-Linear Model) : 0.7484
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9234 (weeks )
Biowin4 (Primary Survey Model) : 3.8163 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8233
Biowin6 (MITI Non-Linear Model): 0.9117
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7172
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.0224
BioHC Half-Life (days) : 105.3001
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 5.24E-007 Pa (3.93E-009 mm Hg)
Log Koa (Koawin est ): 9.539
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.73
Octanol/air (Koa) model: 0.000849
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.995
Mackay model : 0.998
Octanol/air (Koa) model: 0.0636
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 36.5454 E-12 cm3/molecule-sec
Half-Life = 0.293 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.512 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.997 (Junge-Pankow, Mackay avg)
0.0636 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7.133E+007 L/kg (MCI method)
Log Koc: 7.853 (MCI method)
Koc : 1.692E+012 L/kg (Kow method)
Log Koc: 12.228 (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 = 0.649 (BCF = 4.455 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.9690 days (HL = 931.2 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8977)
Log BAF Arnot-Gobas method (upper trophic) = 1.354 (BAF = 22.59)
log Kow used: 14.09 (estimated)
Volatilization from Water:
Henry LC: 870 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.027 hours
Half-Life from Model Lake : 188.7 hours (7.863 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.25 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.22 7.02 1000
Water 49.3 360 1000
Soil 48.5 720 1000
Sediment 0.0169 3.24e+003 0
Persistence Time: 232 hr