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CAS Number: 68444-33-7


CHEM : Isohexacosanol

MOL FOR: C26 H54 O1

MOL WT : 382.72

------------------------------ 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) = 11.57

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

Boiling Pt (deg C): 440.50 (Adapted Stein & Brown method)

Melting Pt (deg C): 149.49 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.34E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 8.46E-008 (Modified Grain method)

Subcooled liquid VP: 1.17E-008 mm Hg (25 deg C, Mod-Grain method)

: 1.56E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.661e-006

log Kow used: 11.57 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.1439e-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 : 5.09E-003 atm-m3/mole (5.15E+002 Pa-m3/mole)

Group Method: 2.34E-002 atm-m3/mole (2.37E+003 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: 1.922E-004 atm-m3/mole (1.948E+001 Pa-m3/mole)

VP: 6.34E-010 mm Hg (source: MPBPVP)

WS: 1.66E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 11.57 (KowWin est)

Log Kaw used: -0.682 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.252

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7241

Biowin2 (Non-Linear Model) : 0.2128

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5134 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4250 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8214

Biowin6 (MITI Non-Linear Model): 0.9088

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2416

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 1.56E-006 Pa (1.17E-008 mm Hg)

Log Koa (Koawin est ): 12.252

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

Mackay model : 1.92

Octanol/air (Koa) model: 0.439

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.986

Mackay model : 0.994

Octanol/air (Koa) model: 0.972

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.9687 E-12 cm3/molecule-sec

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

Half-Life = 3.380 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.99 (Junge-Pankow, Mackay avg)

0.972 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.583E+006 L/kg (MCI method)

Log Koc: 6.200 (MCI method)

Koc : 8.192E+006 L/kg (Kow method)

Log Koc: 6.913 (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 = 1.287 (BCF = 19.38 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.8317 days (HL = 67.87 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.081 (BCF = 1.206)

Log BAF Arnot-Gobas method (upper trophic) = 2.740 (BAF = 549.2)

log Kow used: 11.57 (estimated)

Volatilization from Water:

Henry LC: 0.00509 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.221 hours

Half-Life from Model Lake : 188.3 hours (7.845 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.192 6.76 1000

Water 15.7 900 1000

Soil 84 1.8e+003 1000

Sediment 0.08 8.1e+003 0

Persistence Time: 1.22e+003 hr

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