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CAS Number: 18835-32-0
SMILES : CCCCCCCCCCCCCCCCCCCCCC=C
CHEM : tricos-1-ene
MOL FOR: C23 H46
MOL WT : 322.62
------------------------------ 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) = 11.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 368.36 (Adapted Stein & Brown method)
Melting Pt (deg C): 87.74 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.63E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0035 (Modified Grain method)
Subcooled liquid VP: 0.000105 mm Hg (25 deg C, Mod-Grain method)
: 0.014 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.96e-007
log Kow used: 11.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.2262e-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 : 4.43E+001 atm-m3/mole (4.49E+006 Pa-m3/mole)
Group Method: 1.90E+002 atm-m3/mole (1.92E+007 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: 2.819E+001 atm-m3/mole (2.857E+006 Pa-m3/mole)
VP: 2.63E-005 mm Hg (source: MPBPVP)
WS: 3.96E-007 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 11.50 (KowWin est)
Log Kaw used: 3.258 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.242
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7024
Biowin2 (Non-Linear Model) : 0.5674
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7846 (weeks )
Biowin4 (Primary Survey Model) : 3.6513 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7596
Biowin6 (MITI Non-Linear Model): 0.8707
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7380
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.7010
BioHC Half-Life (days) : 50.2329
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.014 Pa (0.000105 mm Hg)
Log Koa (Koawin est ): 8.242
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000214
Octanol/air (Koa) model: 4.29E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00768
Mackay model : 0.0169
Octanol/air (Koa) model: 0.00342
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 54.1998 E-12 cm3/molecule-sec
Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.368 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):
0.0123 (Junge-Pankow, Mackay avg)
0.00342 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.548E+006 L/kg (MCI method)
Log Koc: 6.550 (MCI method)
Koc : 9.56E+009 L/kg (Kow method)
Log Koc: 9.980 (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 = 1.322 (BCF = 21.01 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.2297 days (HL = 169.7 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.219 (BCF = 1.657)
Log BAF Arnot-Gobas method (upper trophic) = 3.374 (BAF = 2368)
log Kow used: 11.50 (estimated)
Volatilization from Water:
Henry LC: 44.3 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.833 hours
Half-Life from Model Lake : 170.6 hours (7.108 days)
Removal In Wastewater Treatment:
Total removal: 94.05 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.17 percent
Total to Air: 0.10 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.33 3.92 1000
Water 50.3 360 1000
Soil 48 720 1000
Sediment 0.334 3.24e+003 0
Persistence Time: 226 hr