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CAS Number: 13151-92-3

SMILES : C(CC(CCCCCC)C1CCCCC1)CCCC

CHEM :

MOL FOR: C19 H38

MOL WT : 266.51

------------------------------ 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) = 9.41

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 319.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 35.48 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0011 (Modified Grain method)

VP (Pa, 25 deg C) : 0.146 (Modified Grain method)

Subcooled liquid VP: 0.00136 mm Hg (25 deg C, Mod-Grain method)

: 0.182 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 5.08e-005

log Kow used: 9.41 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.8164e-005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.01E+001 atm-m3/mole (1.03E+006 Pa-m3/mole)

Group Method: 2.50E+001 atm-m3/mole (2.54E+006 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: 7.593E+000 atm-m3/mole (7.694E+005 Pa-m3/mole)

VP: 0.0011 mm Hg (source: MPBPVP)

WS: 5.08E-005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 9.41 (KowWin est)

Log Kaw used: 2.616 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.794

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8375

Biowin2 (Non-Linear Model) : 0.9484

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2069 (weeks )

Biowin4 (Primary Survey Model) : 4.0014 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4746

Biowin6 (MITI Non-Linear Model): 0.5297

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4251

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.7221

BioHC Half-Life (days) : 52.7301

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.181 Pa (0.00136 mm Hg)

Log Koa (Koawin est ): 6.794

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.65E-005

Octanol/air (Koa) model: 1.53E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000597

Mackay model : 0.00132

Octanol/air (Koa) model: 0.000122

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 28.2220 E-12 cm3/molecule-sec

Half-Life = 0.379 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.548 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000959 (Junge-Pankow, Mackay avg)

0.000122 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.089E+005 L/kg (MCI method)

Log Koc: 5.490 (MCI method)

Koc : 1.467E+008 L/kg (Kow method)

Log Koc: 8.167 (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 = 2.345 (BCF = 221.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7754 days (HL = 59.63 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.610 (BCF = 40.73)

Log BAF Arnot-Gobas method (upper trophic) = 4.790 (BAF = 6.16e+004)

log Kow used: 9.41 (estimated)

Volatilization from Water:

Henry LC: 10.1 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.666 hours

Half-Life from Model Lake : 155.1 hours (6.461 days)

Removal In Wastewater Treatment:

Total removal: 94.44 percent

Total biodegradation: 0.74 percent

Total sludge adsorption: 90.99 percent

Total to Air: 2.72 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4 9.1 1000

Water 62.8 360 1000

Soil 28.8 720 1000

Sediment 4.41 3.24e+003 0

Persistence Time: 179 hr

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