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CAS Number: 41446-60-0
SMILES : C(=CCCCCCC)CCCCCC
CHEM : 7-TETRADECENE, (Z)-
MOL FOR: C14 H28
MOL WT : 196.38
------------------------------ 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) = 7.00
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 248.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 0.41 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0473 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 6.3 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0139
log Kow used: 7.00 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0088704 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.08E+000 atm-m3/mole (4.14E+005 Pa-m3/mole)
Group Method: 7.05E+000 atm-m3/mole (7.15E+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: 8.793E-001 atm-m3/mole (8.909E+004 Pa-m3/mole)
VP: 0.0473 mm Hg (source: MPBPVP)
WS: 0.0139 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.00 (KowWin est)
Log Kaw used: 2.222 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.778
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8709
Biowin2 (Non-Linear Model) : 0.9803
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3619 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1025 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6353
Biowin6 (MITI Non-Linear Model): 0.7768
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1543
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.9467
BioHC Half-Life (days) : 8.8458
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 6.15 Pa (0.0461 mm Hg)
Log Koa (Koawin est ): 4.778
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.88E-007
Octanol/air (Koa) model: 1.47E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.76E-005
Mackay model : 3.9E-005
Octanol/air (Koa) model: 1.18E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 69.8081 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 77.4081 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.839 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.658 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
2.83E-005 (Junge-Pankow, Mackay avg)
1.18E-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 : 1.188E+006 L/kg (Kow method)
Log Koc: 6.075 (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 = 3.527 (BCF = 3362 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.1093 days (HL = 12.86 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.182 (BCF = 1521)
Log BAF Arnot-Gobas method (upper trophic) = 4.854 (BAF = 7.146e+004)
log Kow used: 7.00 (estimated)
Volatilization from Water:
Henry LC: 4.08 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.43 hours
Half-Life from Model Lake : 133.1 hours (5.546 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.28 percent
Total biodegradation: 0.25 percent
Total sludge adsorption: 63.65 percent
Total to Air: 35.39 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.87 1.34 1000
Water 73.1 208 1000
Soil 10.7 416 1000
Sediment 14.4 1.87e+003 0
Persistence Time: 75.4 hr