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CAS Num: 036262-09-6
SMILES : C(C1C(C=2)=C)C1(C2)C(C)C
CHEM : BICYCLO[3.1.0]HEX-2-ENE, 4-METHYLENE-1-(1-METHYLETHYL)-
MOL FOR: C10 H14
MOL WT : 134.22
------------------------------ 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) = 4.47
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 144.74 (Adapted Stein & Brown method)
Melting Pt (deg C): -20.31 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.47 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 863 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.878
log Kow used: 4.47 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 15.725 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-001 atm-m3/mole (1.17E+004 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: 2.946E-001 atm-m3/mole (2.985E+004 Pa-m3/mole)
VP: 6.47 mm Hg (source: MPBPVP)
WS: 3.88 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.47 (KowWin est)
Log Kaw used: 0.676 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.794
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4997
Biowin2 (Non-Linear Model) : 0.3497
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6904 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5006 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3875
Biowin6 (MITI Non-Linear Model): 0.3122
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1978
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.9326
BioHC Half-Life (days) : 85.6276
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 795 Pa (5.96 mm Hg)
Log Koa (Koawin est ): 3.794
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.78E-009
Octanol/air (Koa) model: 1.53E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.36E-007
Mackay model : 3.02E-007
Octanol/air (Koa) model: 1.22E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 144.7866 E-12 cm3/molecule-sec
Half-Life = 0.074 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.886 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 5.265000 E-17 cm3/molecule-sec
Half-Life = 0.218 Days (at 7E11 mol/cm3)
Half-Life = 5.224 Hrs
Fraction sorbed to airborne particulates (phi):
2.19E-007 (Junge-Pankow, Mackay avg)
1.22E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1077 L/kg (MCI method)
Log Koc: 3.032 (MCI method)
Koc : 7570 L/kg (Kow method)
Log Koc: 3.879 (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 = 2.619 (BCF = 416 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6463 days (HL = 4.429 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.056 (BCF = 1138)
Log BAF Arnot-Gobas method (upper trophic) = 3.068 (BAF = 1169)
log Kow used: 4.47 (estimated)
Volatilization from Water:
Henry LC: 0.116 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.188 hours
Half-Life from Model Lake : 110.1 hours (4.588 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.38 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 33.12 percent
Total to Air: 65.14 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.55 1.32 1000
Water 75.8 900 1000
Soil 18.1 1.8e+003 1000
Sediment 4.54 8.1e+003 0
Persistence Time: 103 hr