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CAS Num: 068141-17-3


CHEM : Undecane, 1,1-dimethoxy-2-methyl-

MOL FOR: C14 H30 O2

MOL WT : 230.39

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 5.06

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

Boiling Pt (deg C): 258.42 (Adapted Stein & Brown method)

Melting Pt (deg C): 13.03 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0287 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.82 (Mean VP of Antoine & Grain methods)

MP (exp database): <25 deg C

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

Water Solubility at 25 deg C (mg/L): 1.445

log Kow used: 5.06 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.9845 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.14E-003 atm-m3/mole (1.16E+002 Pa-m3/mole)

Group Method: 2.08E-003 atm-m3/mole (2.11E+002 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: 6.021E-003 atm-m3/mole (6.101E+002 Pa-m3/mole)

VP: 0.0287 mm Hg (source: MPBPVP)

WS: 1.45 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.06 (KowWin est)

Log Kaw used: -1.332 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.392

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0516

Biowin2 (Non-Linear Model) : 0.0051

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9710 (weeks )

Biowin4 (Primary Survey Model) : 3.7649 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3253

Biowin6 (MITI Non-Linear Model): 0.2639

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4382

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): 3.81 Pa (0.0286 mm Hg)

Log Koa (Koawin est ): 6.392

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

Mackay model : 7.87E-007

Octanol/air (Koa) model: 6.05E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.84E-005

Mackay model : 6.29E-005

Octanol/air (Koa) model: 4.84E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 24.7024 E-12 cm3/molecule-sec

Half-Life = 0.433 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.196 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.57E-005 (Junge-Pankow, Mackay avg)

4.84E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 794.7 L/kg (MCI method)

Log Koc: 2.900 (MCI method)

Koc : 3489 L/kg (Kow method)

Log Koc: 3.543 (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 = 1.631 (BCF = 42.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2064 days (HL = 1.609 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.795 (BCF = 624.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.802 (BAF = 633.8)

log Kow used: 5.06 (estimated)

Volatilization from Water:

Henry LC: 0.00114 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.328 hours

Half-Life from Model Lake : 152.7 hours (6.361 days)

Removal In Wastewater Treatment:

Total removal: 82.02 percent

Total biodegradation: 0.62 percent

Total sludge adsorption: 75.11 percent

Total to Air: 6.29 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2 10.4 1000

Water 19.3 360 1000

Soil 78.1 720 1000

Sediment 0.558 3.24e+003 0

Persistence Time: 351 hr

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