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CAS Num: 018835-34-2
SMILES : C(=C)CCCCCCCCCCCCCCCCCCCCCCCCCC
CHEM : 1-Octacosene
MOL FOR: C28 H56
MOL WT : 392.76
------------------------------ 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) = 13.96
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 426.38 (Adapted Stein & Brown method)
Melting Pt (deg C): 132.85 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.97E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 5.29E-005 (Modified Grain method)
Subcooled liquid VP: 4.8E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000639 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.19e-009
log Kow used: 13.96 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.9276e-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 : 1.83E+002 atm-m3/mole (1.85E+007 Pa-m3/mole)
Group Method: 1.07E+003 atm-m3/mole (1.08E+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: 1.724E+002 atm-m3/mole (1.747E+007 Pa-m3/mole)
VP: 3.97E-007 mm Hg (source: MPBPVP)
WS: 1.19E-009 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 13.96 (KowWin est)
Log Kaw used: 3.874 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.086
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6690
Biowin2 (Non-Linear Model) : 0.3263
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6296 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5502 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7981
Biowin6 (MITI Non-Linear Model): 0.8839
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8680
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.0330
BioHC Half-Life (days) : 107.8932
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00064 Pa (4.8E-006 mm Hg)
Log Koa (Koawin est ): 10.086
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00469
Octanol/air (Koa) model: 0.00299
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.145
Mackay model : 0.273
Octanol/air (Koa) model: 0.193
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 61.2650 E-12 cm3/molecule-sec
Half-Life = 0.175 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.095 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
0.209 (Junge-Pankow, Mackay avg)
0.193 (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 : 1.305E+012 L/kg (Kow method)
Log Koc: 12.115 (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 = 0.716 (BCF = 5.196 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.9254 days (HL = 842.2 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8992)
Log BAF Arnot-Gobas method (upper trophic) = 1.468 (BAF = 29.35)
log Kow used: 13.96 (estimated)
Volatilization from Water:
Henry LC: 183 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.022 hours
Half-Life from Model Lake : 188.2 hours (7.843 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 0.401 3.54 1000
Water 30.9 900 1000
Soil 68.6 1.8e+003 1000
Sediment 0.0289 8.1e+003 0
Persistence Time: 611 hr