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CAS Number: 5274-68-0


CHEM : 3,6,9,12-Tetraoxatetracosan-1-ol

MOL FOR: C20 H42 O5

MOL WT : 362.56

------------------------------ 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) = 3.67

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

Boiling Pt (deg C): 426.09 (Adapted Stein & Brown method)

Melting Pt (deg C): 154.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.52E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 2.02E-007 (Modified Grain method)

Subcooled liquid VP: 3.14E-008 mm Hg (25 deg C, Mod-Grain method)

: 4.19E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 12.3

log Kow used: 3.67 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 96.29 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.55E-012 atm-m3/mole (3.59E-007 Pa-m3/mole)

Group Method: 3.22E-015 atm-m3/mole (3.27E-010 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: 5.895E-011 atm-m3/mole (5.973E-006 Pa-m3/mole)

VP: 1.52E-009 mm Hg (source: MPBPVP)

WS: 12.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.67 (KowWin est)

Log Kaw used: -9.838 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.508

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.5473

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8216 (weeks )

Biowin4 (Primary Survey Model) : 3.6842 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7399

Biowin6 (MITI Non-Linear Model): 0.6931

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0364

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 4.19E-006 Pa (3.14E-008 mm Hg)

Log Koa (Koawin est ): 13.508

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

Mackay model : 0.717

Octanol/air (Koa) model: 7.91

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.963

Mackay model : 0.983

Octanol/air (Koa) model: 0.998

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 76.8646 E-12 cm3/molecule-sec

Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.670 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.973 (Junge-Pankow, Mackay avg)

0.998 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 184.9 L/kg (MCI method)

Log Koc: 2.267 (MCI method)

Koc : 151.8 L/kg (Kow method)

Log Koc: 2.181 (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 = 2.090 (BCF = 123 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7074 days (HL = 0.1961 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.853 (BCF = 71.33)

Log BAF Arnot-Gobas method (upper trophic) = 1.853 (BAF = 71.33)

log Kow used: 3.67 (estimated)

Volatilization from Water:

Henry LC: 3.22E-015 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.462E+011 hours (1.443E+010 days)

Half-Life from Model Lake : 3.777E+012 hours (1.574E+011 days)

Removal In Wastewater Treatment:

Total removal: 17.51 percent

Total biodegradation: 0.22 percent

Total sludge adsorption: 17.29 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 1.87e-006 3.34 1000

Water 17.9 360 1000

Soil 81.9 720 1000

Sediment 0.161 3.24e+003 0

Persistence Time: 762 hr

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