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CAS Number: 1647-16-1
SMILES : C(=C)CCCCCCC=C
CHEM : 1,9-Decadiene
MOL FOR: C10 H18
MOL WT : 138.26
------------------------------ 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) = 4.98
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 161.38 (Adapted Stein & Brown method)
Melting Pt (deg C): -46.83 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.4 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 320 (Mean VP of Antoine & Grain methods)
BP (exp database): 167 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.382
log Kow used: 4.98 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.0257 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.24E-001 atm-m3/mole (5.31E+004 Pa-m3/mole)
Group Method: 6.74E-001 atm-m3/mole (6.83E+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: 3.159E-001 atm-m3/mole (3.201E+004 Pa-m3/mole)
VP: 2.4 mm Hg (source: MPBPVP)
WS: 1.38 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.98 (KowWin est)
Log Kaw used: 1.331 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.649
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6817
Biowin2 (Non-Linear Model) : 0.7399
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8936 (weeks )
Biowin4 (Primary Survey Model) : 3.6483 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6345
Biowin6 (MITI Non-Linear Model): 0.7829
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5509
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.8483
BioHC Half-Life (days) : 7.0524
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 292 Pa (2.19 mm Hg)
Log Koa (Koawin est ): 3.649
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.03E-008
Octanol/air (Koa) model: 1.09E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.71E-007
Mackay model : 8.22E-007
Octanol/air (Koa) model: 8.75E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 60.5498 E-12 cm3/molecule-sec
Half-Life = 0.177 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.120 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):
5.97E-007 (Junge-Pankow, Mackay avg)
8.75E-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 : 2.098E+004 L/kg (Kow method)
Log Koc: 4.322 (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 = 2.953 (BCF = 896.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3770 days (HL = 2.383 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.946 (BCF = 883.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.958 (BAF = 907.6)
log Kow used: 4.98 (estimated)
Volatilization from Water:
Henry LC: 0.674 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: 99.74 percent
Total biodegradation: 0.15 percent
Total sludge adsorption: 47.74 percent
Total to Air: 51.85 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.78 3.09 1000
Water 84.4 360 1000
Soil 6.67 720 1000
Sediment 4.12 3.24e+003 0
Persistence Time: 72.9 hr