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CAS Number: 19780-56-4
SMILES : C(=C(CC1)C)(C1)CC
CHEM : Cyclopentene, 1-ethyl-2-methyl-
MOL FOR: C8 H14
MOL WT : 110.20
------------------------------ 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) = 4.06
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 133.74 (Adapted Stein & Brown method)
Melting Pt (deg C): -43.94 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 10.5 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.39E+003 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 10.86
log Kow used: 4.06 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 34.49 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.63E-001 atm-m3/mole (1.65E+004 Pa-m3/mole)
Group Method: 1.34E-001 atm-m3/mole (1.36E+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: 1.402E-001 atm-m3/mole (1.421E+004 Pa-m3/mole)
VP: 10.5 mm Hg (source: MPBPVP)
WS: 10.9 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.06 (KowWin est)
Log Kaw used: 0.824 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.236
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6951
Biowin2 (Non-Linear Model) : 0.8090
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9556 (weeks )
Biowin4 (Primary Survey Model) : 3.6887 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4937
Biowin6 (MITI Non-Linear Model): 0.6277
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3429
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.6287
BioHC Half-Life (days) : 4.2531
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.29E+003 Pa (9.69 mm Hg)
Log Koa (Koawin est ): 3.236
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.32E-009
Octanol/air (Koa) model: 4.23E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.39E-008
Mackay model : 1.86E-007
Octanol/air (Koa) model: 3.38E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 113.6121 E-12 cm3/molecule-sec
Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.130 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 120.000000 E-17 cm3/molecule-sec
Half-Life = 0.010 Days (at 7E11 mol/cm3)
Half-Life = 13.752 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1.35E-007 (Junge-Pankow, Mackay avg)
3.38E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 400.8 L/kg (MCI method)
Log Koc: 2.603 (MCI method)
Koc : 3336 L/kg (Kow method)
Log Koc: 3.523 (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 = 2.343 (BCF = 220.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2298 days (HL = 1.698 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.649 (BCF = 445.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.650 (BAF = 446.5)
log Kow used: 4.06 (estimated)
Volatilization from Water:
Henry LC: 0.163 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.075 hours
Half-Life from Model Lake : 99.75 hours (4.156 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.67 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 19.14 percent
Total to Air: 79.46 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.357 0.208 1000
Water 90 360 1000
Soil 8.13 720 1000
Sediment 1.48 3.24e+003 0
Persistence Time: 68.3 hr