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CAS Num: 004861-58-9


CHEM : Thiophene, 2-pentyl-

MOL FOR: C9 H14 S1

MOL WT : 154.27

------------------------------ 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) = 4.32

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

Boiling Pt (deg C): 220.10 (Adapted Stein & Brown method)

Melting Pt (deg C): 19.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.13 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 17.4 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 14.71

log Kow used: 4.32 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 14.006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.00E-002 atm-m3/mole (1.02E+003 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.794E-003 atm-m3/mole (1.818E+002 Pa-m3/mole)

VP: 0.13 mm Hg (source: MPBPVP)

WS: 14.7 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.32 (KowWin est)

Log Kaw used: -0.388 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.708

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8372

Biowin2 (Non-Linear Model) : 0.9623

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0817 (weeks )

Biowin4 (Primary Survey Model) : 3.8257 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3708

Biowin6 (MITI Non-Linear Model): 0.4051

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1087

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.4163

BioHC Half-Life (days) : 26.0779

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

Vapor pressure (liquid/subcooled): 16.1 Pa (0.121 mm Hg)

Log Koa (Koawin est ): 4.708

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

Mackay model : 1.86E-007

Octanol/air (Koa) model: 1.25E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.72E-006

Mackay model : 1.49E-005

Octanol/air (Koa) model: 1E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 28.9716 E-12 cm3/molecule-sec

Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.430 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.08E-005 (Junge-Pankow, Mackay avg)

1E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1482 L/kg (MCI method)

Log Koc: 3.171 (MCI method)

Koc : 5610 L/kg (Kow method)

Log Koc: 3.749 (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 = 2.521 (BCF = 331.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0319 days (HL = 1.076 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.575 (BCF = 376)

Log BAF Arnot-Gobas method (upper trophic) = 2.576 (BAF = 376.5)

log Kow used: 4.32 (estimated)

Volatilization from Water:

Henry LC: 0.01 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.34 hours

Half-Life from Model Lake : 118.8 hours (4.949 days)

Removal In Wastewater Treatment:

Total removal: 85.31 percent

Total biodegradation: 0.19 percent

Total sludge adsorption: 32.29 percent

Total to Air: 52.84 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.26 8.86 1000

Water 26.9 360 1000

Soil 68.5 720 1000

Sediment 1.34 3.24e+003 0

Persistence Time: 231 hr

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