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CAS Num: 000110-01-0

SMILES : S(CCC1)C1

CHEM : Thiophene, tetrahydro-

MOL FOR: C4 H8 S1

MOL WT : 88.17

------------------------------ 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) = 1.79

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

Boiling Pt (deg C): 105.76 (Adapted Stein & Brown method)

Melting Pt (deg C): -48.82 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 15 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -96.1 deg C

BP (exp database): 121.0 deg C

VP (exp database): 1.84E+01 mm Hg (2.45E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 3730

log Kow used: 1.79 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5914.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.11E-004 atm-m3/mole (6.19E+001 Pa-m3/mole)

Group Method: 2.39E-004 atm-m3/mole (2.42E+001 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: 4.665E-004 atm-m3/mole (4.727E+001 Pa-m3/mole)

VP: 15 mm Hg (source: MPBPVP)

WS: 3.73E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.79 (KowWin est)

Log Kaw used: -1.602 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.392

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7056

Biowin2 (Non-Linear Model) : 0.8528

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0043 (weeks )

Biowin4 (Primary Survey Model) : 3.7205 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5287

Biowin6 (MITI Non-Linear Model): 0.7164

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3560

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.1048

BioHC Half-Life (days) : 12.7303

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

Vapor pressure (liquid/subcooled): 2.45E+003 Pa (18.4 mm Hg)

Log Koa (Koawin est ): 3.392

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

Mackay model : 1.22E-009

Octanol/air (Koa) model: 6.05E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.42E-008

Mackay model : 9.78E-008

Octanol/air (Koa) model: 4.84E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.9785 E-12 cm3/molecule-sec

Half-Life = 0.714 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.569 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

7.1E-008 (Junge-Pankow, Mackay avg)

4.84E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 79.99 L/kg (MCI method)

Log Koc: 1.903 (MCI method)

Koc : 35.74 L/kg (Kow method)

Log Koc: 1.553 (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 = 0.847 (BCF = 7.036 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8284 days (HL = 0.1485 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.783 (BCF = 6.065)

Log BAF Arnot-Gobas method (upper trophic) = 0.783 (BAF = 6.065)

log Kow used: 1.79 (estimated)

Volatilization from Water:

Henry LC: 0.000239 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.258 hours

Half-Life from Model Lake : 114.3 hours (4.762 days)

Removal In Wastewater Treatment:

Total removal: 12.09 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.83 percent

Total to Air: 10.17 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.97 8.84 1000

Water 27.8 360 1000

Soil 70 720 1000

Sediment 0.141 3.24e+003 0

Persistence Time: 310 hr

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