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CAS Num: 065113-99-7
SMILES : OC(C(CCC(C(C(=C1)C)(C)C)C1)C)C
CHEM : 3-Cyclopentene-1-butanol, a, ,2,2,3-pentamethyl-
MOL FOR: C14 H26 O1
MOL WT : 210.36
------------------------------ 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) = 5.15
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 273.81 (Adapted Stein & Brown method)
Melting Pt (deg C): 47.63 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000443 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0591 (Modified Grain method)
Subcooled liquid VP: 0.000714 mm Hg (25 deg C, Mod-Grain method)
: 0.0951 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5.013
log Kow used: 5.15 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 18.624 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.90E-005 atm-m3/mole (4.97E+000 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: 2.446E-005 atm-m3/mole (2.478E+000 Pa-m3/mole)
VP: 0.000443 mm Hg (source: MPBPVP)
WS: 5.01 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.15 (KowWin est)
Log Kaw used: -2.698 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.848
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6222
Biowin2 (Non-Linear Model) : 0.3580
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6821 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5202 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3530
Biowin6 (MITI Non-Linear Model): 0.2224
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1970
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): 0.0952 Pa (0.000714 mm Hg)
Log Koa (Koawin est ): 7.848
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.15E-005
Octanol/air (Koa) model: 1.73E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00114
Mackay model : 0.00251
Octanol/air (Koa) model: 0.00138
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 105.0036 E-12 cm3/molecule-sec
Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.222 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
0.00183 (Junge-Pankow, Mackay avg)
0.00138 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 715.1 L/kg (MCI method)
Log Koc: 2.854 (MCI method)
Koc : 2303 L/kg (Kow method)
Log Koc: 3.362 (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 = 3.064 (BCF = 1160 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2452 days (HL = 1.759 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.833 (BCF = 681.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.843 (BAF = 696.7)
log Kow used: 5.15 (estimated)
Volatilization from Water:
Henry LC: 4.9E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 18.81 hours
Half-Life from Model Lake : 326.8 hours (13.62 days)
Removal In Wastewater Treatment:
Total removal: 82.05 percent
Total biodegradation: 0.70 percent
Total sludge adsorption: 81.00 percent
Total to Air: 0.34 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.088 1.48 1000
Water 16.3 900 1000
Soil 83 1.8e+003 1000
Sediment 0.637 8.1e+003 0
Persistence Time: 971 hr