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CAS Number: 1560-98-1


CHEM : 2-methyloctacosane

MOL FOR: C29 H60

MOL WT : 408.80

------------------------------ 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) = 14.51

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

Boiling Pt (deg C): 431.86 (Adapted Stein & Brown method)

Melting Pt (deg C): 133.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.91E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 3.88E-005 (Modified Grain method)

Subcooled liquid VP: 3.57E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000476 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.185e-010

log Kow used: 14.51 (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: 5.73E+003 atm-m3/mole (5.81E+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: 4.915E+002 atm-m3/mole (4.980E+007 Pa-m3/mole)

VP: 2.91E-007 mm Hg (source: MPBPVP)

WS: 3.18E-010 mg/L (source: WSKOWWIN)

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

Log Kow used: 14.51 (KowWin est)

Log Kaw used: 4.672 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.838

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6614

Biowin2 (Non-Linear Model) : 0.2784

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5941 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5270 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6819

Biowin6 (MITI Non-Linear Model): 0.8053

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7635

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.1501

BioHC Half-Life (days) : 141.2962

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

Vapor pressure (liquid/subcooled): 0.000476 Pa (3.57E-006 mm Hg)

Log Koa (Koawin est ): 9.838

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

Mackay model : 0.0063

Octanol/air (Koa) model: 0.00169

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.185

Mackay model : 0.335

Octanol/air (Koa) model: 0.119

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.9500 E-12 cm3/molecule-sec

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

Half-Life = 3.382 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.26 (Junge-Pankow, Mackay avg)

0.119 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.093E+008 L/kg (MCI method)

Log Koc: 8.039 (MCI method)

Koc : 3.916E+012 L/kg (Kow method)

Log Koc: 12.593 (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) = 3.0570 days (HL = 1140 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8949)

Log BAF Arnot-Gobas method (upper trophic) = 0.994 (BAF = 9.856)

log Kow used: 14.51 (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 1.47 6.76 1000

Water 52.4 900 1000

Soil 46.2 1.8e+003 1000

Sediment 0.0211 8.1e+003 0

Persistence Time: 363 hr

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