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CAS Num: 001120-21-4

SMILES : C(CCCCCCCCC)C

CHEM : Undecane

MOL FOR: C11 H24

MOL WT : 156.31

------------------------------ 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) = 5.74

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

Boiling Pt (deg C): 185.61 (Adapted Stein & Brown method)

Melting Pt (deg C): -32.36 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.629 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 83.8 (Mean VP of Antoine & Grain methods)

MP (exp database): -25.6 deg C

BP (exp database): 195.9 deg C

VP (exp database): 4.12E-01 mm Hg (5.49E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.2571

log Kow used: 5.74 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.0044 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.029256 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.04E+000 atm-m3/mole (7.13E+005 Pa-m3/mole)

Group Method: 9.52E+000 atm-m3/mole (9.64E+005 Pa-m3/mole)

Exper Database: 1.93E+00 atm-m3/mole (1.96E+005 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: 5.032E-001 atm-m3/mole (5.098E+004 Pa-m3/mole)

VP: 0.629 mm Hg (source: MPBPVP)

WS: 0.257 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.74 (KowWin est)

Log Kaw used: 1.897 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.843

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8900

Biowin2 (Non-Linear Model) : 0.9888

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4504 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1604 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6927

Biowin6 (MITI Non-Linear Model): 0.8718

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2754

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.0041

BioHC Half-Life (days) : 10.0938

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

Vapor pressure (liquid/subcooled): 54.9 Pa (0.412 mm Hg)

Log Koa (Koawin est ): 3.843

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

Mackay model : 5.46E-008

Octanol/air (Koa) model: 1.71E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.97E-006

Mackay model : 4.37E-006

Octanol/air (Koa) model: 1.37E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.5235 E-12 cm3/molecule-sec

Half-Life = 0.854 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.249 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.17E-006 (Junge-Pankow, Mackay avg)

1.37E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2644 L/kg (MCI method)

Log Koc: 3.422 (MCI method)

Koc : 9.58E+004 L/kg (Kow method)

Log Koc: 4.981 (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 = 2.082 (BCF = 120.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6035 days (HL = 4.013 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.152 (BCF = 1420)

Log BAF Arnot-Gobas method (upper trophic) = 3.304 (BAF = 2014)

log Kow used: 5.74 (estimated)

Volatilization from Water:

Henry LC: 1.93 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.276 hours

Half-Life from Model Lake : 118.8 hours (4.948 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.85 percent

Total biodegradation: 0.18 percent

Total sludge adsorption: 57.81 percent

Total to Air: 41.86 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 23.7 19.4 1000

Water 68.1 208 1000

Soil 4.59 416 1000

Sediment 3.65 1.87e+003 0

Persistence Time: 72.3 hr

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