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CAS Number: 20996-35-4
SMILES : CCC=CCCC=CCC
CHEM : (3E,7E)-deca-3,7-diene
MOL FOR: C10 H18
MOL WT : 138.26
------------------------------ 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) = 4.82
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 177.65 (Adapted Stein & Brown method)
Melting Pt (deg C): -45.40 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.47 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 196 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.883
log Kow used: 4.82 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 13.832 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.30E-001 atm-m3/mole (7.39E+004 Pa-m3/mole)
Group Method: 4.66E-001 atm-m3/mole (4.72E+004 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: 1.420E-001 atm-m3/mole (1.439E+004 Pa-m3/mole)
VP: 1.47 mm Hg (source: MPBPVP)
WS: 1.88 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.82 (KowWin est)
Log Kaw used: 1.475 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.345
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8986
Biowin2 (Non-Linear Model) : 0.9913
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4903 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1864 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5241
Biowin6 (MITI Non-Linear Model): 0.6000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1486
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.5351
BioHC Half-Life (days) : 3.4281
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 180 Pa (1.35 mm Hg)
Log Koa (Koawin est ): 3.345
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.67E-008
Octanol/air (Koa) model: 5.43E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.02E-007
Mackay model : 1.33E-006
Octanol/air (Koa) model: 4.35E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 117.3002 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 132.5002 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.094 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 0.969 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 26.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
9.68E-007 (Junge-Pankow, Mackay avg)
4.35E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1451 L/kg (MCI method)
Log Koc: 3.162 (MCI method)
Koc : 1.524E+004 L/kg (Kow method)
Log Koc: 4.183 (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 = 2.849 (BCF = 706 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6411 days (HL = 4.376 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.145 (BCF = 1397)
Log BAF Arnot-Gobas method (upper trophic) = 3.170 (BAF = 1480)
log Kow used: 4.82 (estimated)
Volatilization from Water:
Henry LC: 0.466 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.201 hours
Half-Life from Model Lake : 111.7 hours (4.654 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.62 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 43.74 percent
Total to Air: 55.74 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.37 0.713 1000
Water 84.4 208 1000
Soil 11.4 416 1000
Sediment 2.78 1.87e+003 0
Persistence Time: 57.8 hr