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CAS Number: 287-92-3
SMILES : C(CCC1)C1
CHEM : Cyclopentane
MOL FOR: C5 H10
MOL WT : 70.14
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 2.68
Log Kow (Exper. database match) = 3.00
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 62.53 (Adapted Stein & Brown method)
Melting Pt (deg C): -94.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 314 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.19E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -93.8 deg C
BP (exp database): 49.3 deg C
VP (exp database): 3.18E+02 mm Hg (4.24E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 107.7
log Kow used: 3.00 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 156 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 87.034 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.92E-001 atm-m3/mole (1.95E+004 Pa-m3/mole)
Group Method: 1.38E-001 atm-m3/mole (1.39E+004 Pa-m3/mole)
Exper Database: 1.52E-01 atm-m3/mole (1.54E+004 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: 2.691E-001 atm-m3/mole (2.726E+004 Pa-m3/mole)
VP: 314 mm Hg (source: MPBPVP)
WS: 108 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.00 (exp database)
Log Kaw used: 0.793 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.207
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7142
Biowin2 (Non-Linear Model) : 0.8821
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0442 (weeks )
Biowin4 (Primary Survey Model) : 3.7465 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6021
Biowin6 (MITI Non-Linear Model): 0.8434
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2360
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.6546
BioHC Half-Life (days) : 45.1424
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 4.24E+004 Pa (318 mm Hg)
Log Koa (Koawin est ): 2.207
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.08E-011
Octanol/air (Koa) model: 3.95E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.56E-009
Mackay model : 5.66E-009
Octanol/air (Koa) model: 3.16E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 4.5218 E-12 cm3/molecule-sec
Half-Life = 2.365 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 28.385 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.11E-009 (Junge-Pankow, Mackay avg)
3.16E-009 (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 : 401.1 L/kg (Kow method)
Log Koc: 2.603 (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 = 1.646 (BCF = 44.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3136 days (HL = 0.4857 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.839 (BCF = 69.04)
Log BAF Arnot-Gobas method (upper trophic) = 1.839 (BAF = 69.04)
log Kow used: 3.00 (expkow database)
Volatilization from Water:
Henry LC: 0.152 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 0.8578 hours (51.47 min)
Half-Life from Model Lake : 79.58 hours (3.316 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.35 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 2.57 percent
Total to Air: 95.76 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 34.9 49.8 1000
Water 62.8 360 1000
Soil 1.9 720 1000
Sediment 0.319 3.24e+003 0
Persistence Time: 97.9 hr