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CAS Number: 21964-49-8
SMILES : C=CCCCCCCCCCCC=C
CHEM : 1,13-TETRADECADIENE
MOL FOR: C14 H26
MOL WT : 194.36
------------------------------ 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) = 6.94
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 240.52 (Adapted Stein & Brown method)
Melting Pt (deg C): -1.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0713 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 9.5 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.01594
log Kow used: 6.94 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.030247 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.63E+000 atm-m3/mole (1.65E+005 Pa-m3/mole)
Group Method: 2.68E+000 atm-m3/mole (2.72E+005 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: 1.144E+000 atm-m3/mole (1.159E+005 Pa-m3/mole)
VP: 0.0713 mm Hg (source: MPBPVP)
WS: 0.0159 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.94 (KowWin est)
Log Kaw used: 1.824 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.116
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6550
Biowin2 (Non-Linear Model) : 0.5619
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7697 (weeks )
Biowin4 (Primary Survey Model) : 3.5673 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6652
Biowin6 (MITI Non-Linear Model): 0.7991
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6548
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.1139
BioHC Half-Life (days) : 13.0000
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 9.13 Pa (0.0685 mm Hg)
Log Koa (Koawin est ): 5.116
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.28E-007
Octanol/air (Koa) model: 3.21E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.19E-005
Mackay model : 2.63E-005
Octanol/air (Koa) model: 2.57E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 66.2020 E-12 cm3/molecule-sec
Half-Life = 0.162 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.939 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec
Half-Life = 0.477 Days (at 7E11 mol/cm3)
Half-Life = 11.460 Hrs
Fraction sorbed to airborne particulates (phi):
1.91E-005 (Junge-Pankow, Mackay avg)
2.57E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.6E+004 L/kg (MCI method)
Log Koc: 4.204 (MCI method)
Koc : 1.054E+006 L/kg (Kow method)
Log Koc: 6.023 (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 = 2.874 (BCF = 748.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9337 days (HL = 8.583 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.063 (BCF = 1156)
Log BAF Arnot-Gobas method (upper trophic) = 4.411 (BAF = 2.577e+004)
log Kow used: 6.94 (estimated)
Volatilization from Water:
Henry LC: 2.68 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.423 hours
Half-Life from Model Lake : 132.4 hours (5.518 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.07 percent
Total biodegradation: 0.27 percent
Total sludge adsorption: 64.71 percent
Total to Air: 34.10 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.86 2.9 1000
Water 64.8 360 1000
Soil 11 720 1000
Sediment 21.3 3.24e+003 0
Persistence Time: 109 hr