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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

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