This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number:
SMILES : Cc1ccc(s1)Cc2ccco2
CHEM :
MOL FOR: C10 H10 O1 S1
MOL WT : 178.25
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 3.99
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 264.97 (Adapted Stein & Brown method)
Melting Pt (deg C): 62.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00553 (Modified Grain method)
VP (Pa, 25 deg C) : 0.738 (Modified Grain method)
Subcooled liquid VP: 0.0123 mm Hg (25 deg C, Mod-Grain method)
: 1.64 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 22.18
log Kow used: 3.99 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 27.243 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Thiophenes
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.87E-004 atm-m3/mole (2.91E+001 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: 5.848E-005 atm-m3/mole (5.925E+000 Pa-m3/mole)
VP: 0.00553 mm Hg (source: MPBPVP)
WS: 22.2 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.99 (KowWin est)
Log Kaw used: -1.931 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.921
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7720
Biowin2 (Non-Linear Model) : 0.8364
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6556 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4535 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2087
Biowin6 (MITI Non-Linear Model): 0.1374
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1346
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.64 Pa (0.0123 mm Hg)
Log Koa (Koawin est ): 5.921
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.83E-006
Octanol/air (Koa) model: 2.05E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.61E-005
Mackay model : 0.000146
Octanol/air (Koa) model: 1.64E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 132.0169 E-12 cm3/molecule-sec
Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.972 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000106 (Junge-Pankow, Mackay avg)
1.64E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4425 L/kg (MCI method)
Log Koc: 3.646 (MCI method)
Koc : 2901 L/kg (Kow method)
Log Koc: 3.463 (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 = 2.297 (BCF = 197.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2191 days (HL = 0.6038 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.310 (BCF = 204.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.310 (BAF = 204.3)
log Kow used: 3.99 (estimated)
Volatilization from Water:
Henry LC: 0.000287 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.086 hours
Half-Life from Model Lake : 156.5 hours (6.522 days)
Removal In Wastewater Treatment:
Total removal: 36.62 percent
Total biodegradation: 0.29 percent
Total sludge adsorption: 27.98 percent
Total to Air: 8.35 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.137 1.94 1000
Water 11 900 1000
Soil 86 1.8e+003 1000
Sediment 2.81 8.1e+003 0
Persistence Time: 971 hr