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CAS Number: 52845-07-5


CHEM : Isoeicosane

MOL FOR: C20 H42

MOL WT : 282.56

------------------------------ 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) = 10.09

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

Boiling Pt (deg C): 326.33 (Adapted Stein & Brown method)

Melting Pt (deg C): 39.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000692 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0923 (Modified Grain method)

Subcooled liquid VP: 0.000935 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.087e-005

log Kow used: 10.09 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.3013e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.02E+001 atm-m3/mole (9.14E+006 Pa-m3/mole)

Group Method: 2.56E+002 atm-m3/mole (2.60E+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: 2.367E+001 atm-m3/mole (2.398E+006 Pa-m3/mole)

VP: 0.000692 mm Hg (source: MPBPVP)

WS: 1.09E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.09 (KowWin est)

Log Kaw used: 3.567 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.523

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7215

Biowin2 (Non-Linear Model) : 0.6985

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8731 (weeks )

Biowin4 (Primary Survey Model) : 3.7091 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6127

Biowin6 (MITI Non-Linear Model): 0.7683

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5296

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.5525

BioHC Half-Life (days) : 35.6878

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

Vapor pressure (liquid/subcooled): 0.125 Pa (0.000935 mm Hg)

Log Koa (Koawin est ): 6.523

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

Mackay model : 2.41E-005

Octanol/air (Koa) model: 8.18E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000868

Mackay model : 0.00192

Octanol/air (Koa) model: 6.55E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 25.2326 E-12 cm3/molecule-sec

Half-Life = 0.424 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.087 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00139 (Junge-Pankow, Mackay avg)

6.55E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.931E+005 L/kg (MCI method)

Log Koc: 5.693 (MCI method)

Koc : 5.711E+008 L/kg (Kow method)

Log Koc: 8.757 (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 = 2.013 (BCF = 103.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.8046 days (HL = 63.77 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.994 (BCF = 9.854)

Log BAF Arnot-Gobas method (upper trophic) = 4.172 (BAF = 1.487e+004)

log Kow used: 10.09 (estimated)

Volatilization from Water:

Henry LC: 90.2 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.715 hours

Half-Life from Model Lake : 159.7 hours (6.653 days)

Removal In Wastewater Treatment:

Total removal: 94.75 percent

Total biodegradation: 0.71 percent

Total sludge adsorption: 89.26 percent

Total to Air: 4.78 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.19 10.2 1000

Water 83.7 360 1000

Soil 8.14 720 1000

Sediment 1.98 3.24e+003 0

Persistence Time: 136 hr

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