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CAS Num: 000630-03-5

SMILES : C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)C

CHEM : Nonacosane

MOL FOR: C29 H60

MOL WT : 408.80

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 14.58

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

Boiling Pt (deg C): 438.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 143.01 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.56E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000127 (Modified Grain method)

MP (exp database): 63.7 deg C

BP (exp database): 440.8 deg C

VP (exp database): 4.30E-10 mm Hg (5.73E-008 Pa) at 25 deg C

Subcooled liquid VP: 1.04E-009 mm Hg (25 deg C, exp database VP )

: 1.38E-007 Pa (25 deg C, exp database VP )

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 2.756e-010

log Kow used: 14.58 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.088e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.15E+003 atm-m3/mole (1.17E+008 Pa-m3/mole)

Group Method: 4.77E+003 atm-m3/mole (4.83E+008 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: 1.866E+003 atm-m3/mole (1.891E+008 Pa-m3/mole)

VP: 9.56E-007 mm Hg (source: MPBPVP)

WS: 2.76E-010 mg/L (source: WSKOWWIN)

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

Log Kow used: 14.58 (KowWin est)

Log Kaw used: 4.672 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.908

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7698

Biowin2 (Non-Linear Model) : 0.7091

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8925 (weeks )

Biowin4 (Primary Survey Model) : 3.7961 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8310

Biowin6 (MITI Non-Linear Model): 0.9137

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7432

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.0888

BioHC Half-Life (days) : 122.6958

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

Vapor pressure (liquid/subcooled): 1.39E-007 Pa (1.04E-009 mm Hg)

Log Koa (Koawin est ): 9.908

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

Mackay model : 21.6

Octanol/air (Koa) model: 0.00199

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 0.999

Octanol/air (Koa) model: 0.137

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.9584 E-12 cm3/molecule-sec

Half-Life = 0.282 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.381 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

0.137 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.3E+008 L/kg (MCI method)

Log Koc: 8.114 (MCI method)

Koc : 4.504E+012 L/kg (Kow method)

Log Koc: 12.654 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.1082 days (HL = 1283 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8947)

Log BAF Arnot-Gobas method (upper trophic) = 0.943 (BAF = 8.767)

log Kow used: 14.58 (estimated)

Volatilization from Water:

Henry LC: 1.15E+003 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.063 hours

Half-Life from Model Lake : 192 hours (8.002 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.84 6.76 1000

Water 44.3 360 1000

Soil 53.8 720 1000

Sediment 0.00896 3.24e+003 0

Persistence Time: 258 hr

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