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CAS Number: 137-43-9
SMILES : BrC(CCC1)C1
CHEM : Cyclopentane, bromo-
MOL FOR: C5 H9 Br1
MOL WT : 149.03
------------------------------ 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) = 2.95
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 133.57 (Adapted Stein & Brown method)
Melting Pt (deg C): -46.01 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.88 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.18E+003 (Mean VP of Antoine & Grain methods)
BP (exp database): 137.5 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 229.7
log Kow used: 2.95 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1004.2 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.16E-002 atm-m3/mole (1.18E+003 Pa-m3/mole)
Group Method: 2.56E-003 atm-m3/mole (2.60E+002 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: 7.581E-003 atm-m3/mole (7.681E+002 Pa-m3/mole)
VP: 8.88 mm Hg (source: MPBPVP)
WS: 230 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.95 (KowWin est)
Log Kaw used: -0.324 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.274
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6304
Biowin2 (Non-Linear Model) : 0.0279
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8988 (weeks )
Biowin4 (Primary Survey Model) : 3.6681 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4569
Biowin6 (MITI Non-Linear Model): 0.1800
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7546
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): 1.09E+003 Pa (8.21 mm Hg)
Log Koa (Koawin est ): 3.274
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.74E-009
Octanol/air (Koa) model: 4.61E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.9E-008
Mackay model : 2.19E-007
Octanol/air (Koa) model: 3.69E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 3.0111 E-12 cm3/molecule-sec
Half-Life = 3.552 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 42.626 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.59E-007 (Junge-Pankow, Mackay avg)
3.69E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 128.3 L/kg (MCI method)
Log Koc: 2.108 (MCI method)
Koc : 363 L/kg (Kow method)
Log Koc: 2.560 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.130E-011 L/mol-sec
Kb Half-Life at pH 8: 1.031E+009 years
Kb Half-Life at pH 7: 1.031E+010 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.616 (BCF = 41.34 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3402 days (HL = 0.4569 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.799 (BCF = 63.02)
Log BAF Arnot-Gobas method (upper trophic) = 1.799 (BAF = 63.02)
log Kow used: 2.95 (estimated)
Volatilization from Water:
Henry LC: 0.00256 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.525 hours
Half-Life from Model Lake : 119 hours (4.958 days)
Removal In Wastewater Treatment:
Total removal: 52.43 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 3.72 percent
Total to Air: 48.64 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 21.5 85.2 1000
Water 35 360 1000
Soil 43.3 720 1000
Sediment 0.242 3.24e+003 0
Persistence Time: 187 hr