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CAS Number: 933-05-1
SMILES : C(CC1)CC1OC(=O)C
CHEM : CYCLOPENTANOL, ACETATE
MOL FOR: C7 H12 O2
MOL WT : 128.17
------------------------------ 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) = 2.15
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 156.14 (Adapted Stein & Brown method)
Melting Pt (deg C): -36.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0867 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 11.6 (Mean VP of Antoine & Grain methods)
MP (exp database): 13.5 deg C
BP (exp database): 228 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1359
log Kow used: 2.15 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5749.5 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.40E-004 atm-m3/mole (2.43E+001 Pa-m3/mole)
Group Method: 8.48E-005 atm-m3/mole (8.59E+000 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: 1.076E-005 atm-m3/mole (1.090E+000 Pa-m3/mole)
VP: 0.0867 mm Hg (source: MPBPVP)
WS: 1.36E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.15 (KowWin est)
Log Kaw used: -2.008 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.158
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8607
Biowin2 (Non-Linear Model) : 0.9949
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0561 (weeks )
Biowin4 (Primary Survey Model) : 3.8918 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7663
Biowin6 (MITI Non-Linear Model): 0.8917
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4878
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 10.9 Pa (0.0816 mm Hg)
Log Koa (Koawin est ): 4.158
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.76E-007
Octanol/air (Koa) model: 3.53E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.96E-006
Mackay model : 2.21E-005
Octanol/air (Koa) model: 2.83E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 6.6650 E-12 cm3/molecule-sec
Half-Life = 1.605 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 19.258 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.6E-005 (Junge-Pankow, Mackay avg)
2.83E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 34.52 L/kg (MCI method)
Log Koc: 1.538 (MCI method)
Koc : 111.9 L/kg (Kow method)
Log Koc: 2.049 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.548E-002 L/mol-sec
Kb Half-Life at pH 8: 84.020 days
Kb Half-Life at pH 7: 2.300 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.087 (BCF = 12.21 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.3223 days (HL = 0.04761 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.879 (BCF = 7.575)
Log BAF Arnot-Gobas method (upper trophic) = 0.879 (BAF = 7.575)
log Kow used: 2.15 (estimated)
Volatilization from Water:
Henry LC: 8.48E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 8.972 hours
Half-Life from Model Lake : 192.8 hours (8.033 days)
Removal In Wastewater Treatment:
Total removal: 6.53 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.24 percent
Total to Air: 4.20 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.91 38.5 1000
Water 31.6 360 1000
Soil 63.4 720 1000
Sediment 0.103 3.24e+003 0
Persistence Time: 344 hr