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CAS Number: 101462-48-0



MOL FOR: C18 H38 O1

MOL WT : 270.50

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 7.78

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

Boiling Pt (deg C): 304.95 (Adapted Stein & Brown method)

Melting Pt (deg C): 20.48 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00279 (Modified Grain method)

VP (Pa, 25 deg C) : 0.371 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.004138

log Kow used: 7.78 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.014778 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 8.02E-002 atm-m3/mole (8.13E+003 Pa-m3/mole)

Group Method: 1.65E-001 atm-m3/mole (1.68E+004 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: 2.400E-001 atm-m3/mole (2.432E+004 Pa-m3/mole)

VP: 0.00279 mm Hg (source: MPBPVP)

WS: 0.00414 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.78 (KowWin est)

Log Kaw used: 0.516 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.264

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2714

Biowin2 (Non-Linear Model) : 0.0139

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5927 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4477 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4022

Biowin6 (MITI Non-Linear Model): 0.4113

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2407

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): 0.372 Pa (0.00279 mm Hg)

Log Koa (Koawin est ): 7.264

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

Mackay model : 8.06E-006

Octanol/air (Koa) model: 4.51E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000291

Mackay model : 0.000645

Octanol/air (Koa) model: 0.000361

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 38.8032 E-12 cm3/molecule-sec

Half-Life = 0.276 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.308 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000468 (Junge-Pankow, Mackay avg)

0.000361 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.059E+004 L/kg (MCI method)

Log Koc: 4.486 (MCI method)

Koc : 1.374E+005 L/kg (Kow method)

Log Koc: 5.138 (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 = 3.146 (BCF = 1401 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0246 days (HL = 10.58 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.485 (BCF = 305.4)

Log BAF Arnot-Gobas method (upper trophic) = 4.490 (BAF = 3.092e+004)

log Kow used: 7.78 (estimated)

Volatilization from Water:

Henry LC: 0.165 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.684 hours

Half-Life from Model Lake : 156.3 hours (6.512 days)

Removal In Wastewater Treatment:

Total removal: 94.29 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 91.61 percent

Total to Air: 1.93 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.23 6.61 1000

Water 29.8 900 1000

Soil 55.7 1.8e+003 1000

Sediment 13.3 8.1e+003 0

Persistence Time: 461 hr

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