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CAS Number: 27070-58-2
SMILES : C=CCCCCCCCCCCCCCCCC
CHEM : Octadecene
MOL FOR: C18 H36
MOL WT : 252.49
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 9.04
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 306.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 29.57 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00261 (Modified Grain method)
VP (Pa, 25 deg C) : 0.347 (Modified Grain method)
MP (exp database): 17.5 deg C
BP (exp database): 179 @ 15 mm Hg deg C
VP (exp database): 6.75E-05 mm Hg (9.00E-003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0001256
log Kow used: 9.04 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.793e-005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.07E+001 atm-m3/mole (1.09E+006 Pa-m3/mole)
Group Method: 3.38E+001 atm-m3/mole (3.42E+006 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: 6.904E+000 atm-m3/mole (6.995E+005 Pa-m3/mole)
VP: 0.00261 mm Hg (source: MPBPVP)
WS: 0.000126 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 9.04 (KowWin est)
Log Kaw used: 2.641 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.399
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7358
Biowin2 (Non-Linear Model) : 0.7802
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9395 (weeks )
Biowin4 (Primary Survey Model) : 3.7525 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7212
Biowin6 (MITI Non-Linear Model): 0.8562
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6081
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.3690
BioHC Half-Life (days) : 23.3874
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.009 Pa (6.75E-005 mm Hg)
Log Koa (Koawin est ): 6.399
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000333
Octanol/air (Koa) model: 6.15E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0119
Mackay model : 0.026
Octanol/air (Koa) model: 4.92E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 47.1346 E-12 cm3/molecule-sec
Half-Life = 0.227 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.723 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):
0.0189 (Junge-Pankow, Mackay avg)
4.92E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.765E+005 L/kg (MCI method)
Log Koc: 5.247 (MCI method)
Koc : 7.005E+007 L/kg (Kow method)
Log Koc: 7.845 (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 = 2.526 (BCF = 335.4 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.5339 days (HL = 34.19 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.755 (BCF = 56.83)
Log BAF Arnot-Gobas method (upper trophic) = 4.680 (BAF = 4.79e+004)
log Kow used: 9.04 (estimated)
Volatilization from Water:
Henry LC: 10.7 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.622 hours
Half-Life from Model Lake : 150.9 hours (6.289 days)
Removal In Wastewater Treatment:
Total removal: 94.95 percent
Total biodegradation: 0.69 percent
Total sludge adsorption: 88.14 percent
Total to Air: 6.13 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.46 4.4 1000
Water 71.5 360 1000
Soil 19.4 720 1000
Sediment 6.66 3.24e+003 0
Persistence Time: 156 hr