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CAS Num: 000538-68-1

SMILES : c(cccc1)(c1)CCCCC

CHEM : Benzene, pentyl-

MOL FOR: C11 H16

MOL WT : 148.25

------------------------------ 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) = 4.50

Log Kow (Exper. database match) = 4.90

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 210.64 (Adapted Stein & Brown method)

Melting Pt (deg C): -11.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.275 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 36.7 (Mean VP of Antoine & Grain methods)

MP (exp database): -75 deg C

BP (exp database): 205.4 deg C

VP (exp database): 4.39E-01 mm Hg (5.85E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 5.048

log Kow used: 4.90 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 3.37 mg/L (25 deg C)

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

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.39 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.85E-002 atm-m3/mole (1.87E+003 Pa-m3/mole)

Group Method: 2.50E-002 atm-m3/mole (2.54E+003 Pa-m3/mole)

Exper Database: 2.54E-02 atm-m3/mole (2.57E+003 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: 1.063E-002 atm-m3/mole (1.077E+003 Pa-m3/mole)

VP: 0.275 mm Hg (source: MPBPVP)

WS: 5.05 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.90 (exp database)

Log Kaw used: 0.016 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.884

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9682

Biowin2 (Non-Linear Model) : 0.9941

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1171 (weeks )

Biowin4 (Primary Survey Model) : 3.8393 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4051

Biowin6 (MITI Non-Linear Model): 0.5075

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1360

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.8955

BioHC Half-Life (days) : 7.8607

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

Vapor pressure (liquid/subcooled): 58.5 Pa (0.439 mm Hg)

Log Koa (Koawin est ): 4.884

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

Mackay model : 5.13E-008

Octanol/air (Koa) model: 1.88E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.85E-006

Mackay model : 4.1E-006

Octanol/air (Koa) model: 1.5E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.1361 E-12 cm3/molecule-sec

Half-Life = 1.055 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.663 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.98E-006 (Junge-Pankow, Mackay avg)

1.5E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2700 L/kg (MCI method)

Log Koc: 3.431 (MCI method)

Koc : 1.788E+004 L/kg (Kow method)

Log Koc: 4.252 (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 = 2.900 (BCF = 794.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0831 days (HL = 1.211 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.675 (BCF = 473.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.678 (BAF = 476.4)

log Kow used: 4.90 (expkow database)

Volatilization from Water:

Henry LC: 0.0254 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.271 hours

Half-Life from Model Lake : 116 hours (4.831 days)

Removal In Wastewater Treatment:

Total removal: 94.48 percent

Total biodegradation: 0.25 percent

Total sludge adsorption: 51.50 percent

Total to Air: 42.73 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 8.56 25.3 1000

Water 28.6 360 1000

Soil 60.4 720 1000

Sediment 2.45 3.24e+003 0

Persistence Time: 216 hr

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