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CAS Number: 13151-35-4



MOL FOR: C11 H24

MOL WT : 156.31

------------------------------ 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) = 5.67

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

Boiling Pt (deg C): 173.05 (Adapted Stein & Brown method)

Melting Pt (deg C): -43.52 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.955 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 127 (Mean VP of Antoine & Grain methods)

MP (exp database): -77.5 deg C

BP (exp database): 187 deg C

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

Water Solubility at 25 deg C (mg/L): 0.2971

log Kow used: 5.67 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.049029 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: 1.14E+001 atm-m3/mole (1.16E+006 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: 6.611E-001 atm-m3/mole (6.699E+004 Pa-m3/mole)

VP: 0.955 mm Hg (source: MPBPVP)

WS: 0.297 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.67 (KowWin est)

Log Kaw used: 2.459 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.211

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) : 0.5436

Biowin6 (MITI Non-Linear Model): 0.7267

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0220

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.9549

BioHC Half-Life (days) : 9.0138

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

Vapor pressure (liquid/subcooled): 116 Pa (0.873 mm Hg)

Log Koa (Koawin est ): 3.211

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

Mackay model : 2.58E-008

Octanol/air (Koa) model: 3.99E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.31E-007

Mackay model : 2.06E-006

Octanol/air (Koa) model: 3.19E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.7998 E-12 cm3/molecule-sec

Half-Life = 0.836 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.028 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.5E-006 (Junge-Pankow, Mackay avg)

3.19E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2328 L/kg (MCI method)

Log Koc: 3.367 (MCI method)

Koc : 8.329E+004 L/kg (Kow method)

Log Koc: 4.921 (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 = 2.034 (BCF = 108.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5864 days (HL = 3.858 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.142 (BCF = 1386)

Log BAF Arnot-Gobas method (upper trophic) = 3.265 (BAF = 1841)

log Kow used: 5.67 (estimated)

Volatilization from Water:

Henry LC: 7.04 atm-m3/mole (estimated by Bond SAR Method)

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: 99.96 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 56.96 percent

Total to Air: 42.83 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 25 20.1 1000

Water 69.8 208 1000

Soil 1.87 416 1000

Sediment 3.36 1.87e+003 0

Persistence Time: 70.4 hr

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