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CAS Number: 3452-07-1
SMILES : C(=C)CCCCCCCCCCCCCCCCCC
CHEM : 1-Eicosene
MOL FOR: C20 H40
MOL WT : 280.54
------------------------------ 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) = 10.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 333.05 (Adapted Stein & Brown method)
Melting Pt (deg C): 50.38 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000409 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0545 (Modified Grain method)
MP (exp database): 28.5 deg C
BP (exp database): 341 deg C
VP (exp database): 1.06E-05 mm Hg (1.41E-003 Pa) at 25 deg C
Subcooled liquid VP: 1.15E-005 mm Hg (25 deg C, exp database VP )
: 0.00153 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.264e-005
log Kow used: 10.03 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.5539e-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 : 1.89E+001 atm-m3/mole (1.92E+006 Pa-m3/mole)
Group Method: 6.74E+001 atm-m3/mole (6.83E+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: 1.194E+001 atm-m3/mole (1.210E+006 Pa-m3/mole)
VP: 0.000409 mm Hg (source: MPBPVP)
WS: 1.26E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.03 (KowWin est)
Log Kaw used: 2.888 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.142
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7224
Biowin2 (Non-Linear Model) : 0.7045
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8775 (weeks )
Biowin4 (Primary Survey Model) : 3.7121 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7366
Biowin6 (MITI Non-Linear Model): 0.8621
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6600
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.5018
BioHC Half-Life (days) : 31.7530
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00153 Pa (1.15E-005 mm Hg)
Log Koa (Koawin est ): 7.142
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00196
Octanol/air (Koa) model: 3.4E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.066
Mackay model : 0.135
Octanol/air (Koa) model: 0.000272
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 49.9606 E-12 cm3/molecule-sec
Half-Life = 0.214 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.569 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):
0.101 (Junge-Pankow, Mackay avg)
0.000272 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.862E+005 L/kg (MCI method)
Log Koc: 5.768 (MCI method)
Koc : 5.066E+008 L/kg (Kow method)
Log Koc: 8.705 (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 = 2.044 (BCF = 110.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.8122 days (HL = 64.89 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.057 (BCF = 11.4)
Log BAF Arnot-Gobas method (upper trophic) = 4.248 (BAF = 1.769e+004)
log Kow used: 10.03 (estimated)
Volatilization from Water:
Henry LC: 18.9 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.709 hours
Half-Life from Model Lake : 159.1 hours (6.629 days)
Removal In Wastewater Treatment:
Total removal: 94.22 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 92.20 percent
Total to Air: 1.27 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.04 4.2 1000
Water 65.6 360 1000
Soil 30.2 720 1000
Sediment 2.11 3.24e+003 0
Persistence Time: 173 hr