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CAS Number: 68037-01-4
SMILES : CCCCCCCCC=C
CHEM : dec-1-ene
MOL FOR: C10 H20
MOL WT : 140.27
------------------------------ 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) = 5.12
Log Kow (Exper. database match) = 5.70
Exper. Ref: AMER PETROLEUM INSTITUTE (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 162.99 (Adapted Stein & Brown method)
Melting Pt (deg C): -45.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.09 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 279 (Mean VP of Antoine & Grain methods)
MP (exp database): -94 deg C
BP (exp database): 170 deg C
VP (exp database): 1.67E+00 mm Hg (2.23E+002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.3288
log Kow used: 5.70 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 0.57 mg/L (25 deg C)
Exper. Ref: KERTES,AS (1989)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.41674 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.11E+000 atm-m3/mole (1.13E+005 Pa-m3/mole)
Group Method: 2.13E+000 atm-m3/mole (2.16E+005 Pa-m3/mole)
Exper Database: 5.41E-01 atm-m3/mole (5.48E+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: 1.173E+000 atm-m3/mole (1.189E+005 Pa-m3/mole)
VP: 2.09 mm Hg (source: MPBPVP)
WS: 0.329 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.70 (exp database)
Log Kaw used: 1.345 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.355
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7892
Biowin2 (Non-Linear Model) : 0.9459
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1875 (weeks )
Biowin4 (Primary Survey Model) : 3.9144 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6597
Biowin6 (MITI Non-Linear Model): 0.8303
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4001
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.8378
BioHC Half-Life (days) : 6.8829
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 223 Pa (1.67 mm Hg)
Log Koa (Koawin est ): 4.355
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.35E-008
Octanol/air (Koa) model: 5.56E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.87E-007
Mackay model : 1.08E-006
Octanol/air (Koa) model: 4.45E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.8302 E-12 cm3/molecule-sec
Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.582 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):
7.82E-007 (Junge-Pankow, Mackay avg)
4.45E-007 (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 : 8.844E+004 L/kg (Kow method)
Log Koc: 4.947 (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 = 2.054 (BCF = 113.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6002 days (HL = 3.983 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.199 (BCF = 1582)
Log BAF Arnot-Gobas method (upper trophic) = 3.364 (BAF = 2314)
log Kow used: 5.70 (expkow database)
Volatilization from Water:
Henry LC: 0.541 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.21 hours
Half-Life from Model Lake : 112.5 hours (4.688 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.50 percent
Total biodegradation: 0.20 percent
Total sludge adsorption: 58.72 percent
Total to Air: 40.58 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 7.87 5.59 1000
Water 80.6 360 1000
Soil 7.63 720 1000
Sediment 3.86 3.24e+003 0
Persistence Time: 77 hr