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CAS Number: 84560-00-9
SMILES : CCCCCC1CCCC1O
CHEM : 2-pentylcyclopentan-1-ol
MOL FOR: C10 H20 O1
MOL WT : 156.27
------------------------------ 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) = 3.53
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 233.90 (Adapted Stein & Brown method)
Melting Pt (deg C): 9.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0091 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.21 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 223.4
log Kow used: 3.53 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 335.3 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.52E-005 atm-m3/mole (1.54E+000 Pa-m3/mole)
Group Method: 1.77E-005 atm-m3/mole (1.80E+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: 8.376E-006 atm-m3/mole (8.487E-001 Pa-m3/mole)
VP: 0.0091 mm Hg (source: MPBPVP)
WS: 223 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.53 (KowWin est)
Log Kaw used: -3.207 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.737
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9403
Biowin2 (Non-Linear Model) : 0.9770
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3121 (days-weeks )
Biowin4 (Primary Survey Model) : 4.0208 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6905
Biowin6 (MITI Non-Linear Model): 0.7697
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3944
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): 1.14 Pa (0.00854 mm Hg)
Log Koa (Koawin est ): 6.737
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.63E-006
Octanol/air (Koa) model: 1.34E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.52E-005
Mackay model : 0.000211
Octanol/air (Koa) model: 0.000107
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.2932 E-12 cm3/molecule-sec
Half-Life = 0.619 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.422 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000153 (Junge-Pankow, Mackay avg)
0.000107 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 116.7 L/kg (MCI method)
Log Koc: 2.067 (MCI method)
Koc : 292.6 L/kg (Kow method)
Log Koc: 2.466 (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 = 1.995 (BCF = 98.83 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2251 days (HL = 0.5956 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.167 (BCF = 147)
Log BAF Arnot-Gobas method (upper trophic) = 2.167 (BAF = 147)
log Kow used: 3.53 (estimated)
Volatilization from Water:
Henry LC: 1.77E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 42.63 hours (1.776 days)
Half-Life from Model Lake : 569.8 hours (23.74 days)
Removal In Wastewater Treatment:
Total removal: 14.52 percent
Total biodegradation: 0.19 percent
Total sludge adsorption: 13.48 percent
Total to Air: 0.85 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.27 14.8 1000
Water 28.7 208 1000
Soil 68.9 416 1000
Sediment 0.159 1.87e+003 0
Persistence Time: 272 hr