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CAS Number: 14905-56-7
SMILES : CCCCC(C)CCCC(C)CCCC(C)C
CHEM : TETRADECANE, 2,6,10-TRIMETHYL-
MOL FOR: C17 H36
MOL WT : 240.48
------------------------------ 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) = 8.47
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 263.82 (Adapted Stein & Brown method)
Melting Pt (deg C): 1.79 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0217 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.89 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.0004533
log Kow used: 8.47 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00012703 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.85E+001 atm-m3/mole (3.91E+006 Pa-m3/mole)
Group Method: 1.31E+002 atm-m3/mole (1.33E+007 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: 1.515E+001 atm-m3/mole (1.535E+006 Pa-m3/mole)
VP: 0.0217 mm Hg (source: MPBPVP)
WS: 0.000453 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.47 (KowWin est)
Log Kaw used: 3.197 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.273
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7415
Biowin2 (Non-Linear Model) : 0.8081
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9661 (weeks )
Biowin4 (Primary Survey Model) : 3.7699 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2915
Biowin6 (MITI Non-Linear Model): 0.3201
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1431
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.4759
BioHC Half-Life (days) : 29.9170
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.92 Pa (0.0219 mm Hg)
Log Koa (Koawin est ): 5.273
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.03E-006
Octanol/air (Koa) model: 4.6E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.71E-005
Mackay model : 8.22E-005
Octanol/air (Koa) model: 3.68E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.5459 E-12 cm3/molecule-sec
Half-Life = 0.496 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.957 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
5.96E-005 (Junge-Pankow, Mackay avg)
3.68E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.314E+004 L/kg (MCI method)
Log Koc: 4.800 (MCI method)
Koc : 2.242E+007 L/kg (Kow method)
Log Koc: 7.351 (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 = 2.807 (BCF = 641.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3530 days (HL = 22.54 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.144 (BCF = 139.3)
Log BAF Arnot-Gobas method (upper trophic) = 4.806 (BAF = 6.397e+004)
log Kow used: 8.47 (estimated)
Volatilization from Water:
Henry LC: 38.5 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.582 hours
Half-Life from Model Lake : 147.3 hours (6.137 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.26 percent
Total biodegradation: 0.35 percent
Total sludge adsorption: 69.64 percent
Total to Air: 28.27 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 7.46 11.9 1000
Water 80.2 360 1000
Soil 2.88 720 1000
Sediment 9.47 3.24e+003 0
Persistence Time: 134 hr