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CAS Number: 2511-91-3
SMILES : C(C1)C1CCCCC
CHEM : CYCLOPROPANE, PENTYL-
MOL FOR: C8 H16
MOL WT : 112.22
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 4.08
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 123.82 (Adapted Stein & Brown method)
Melting Pt (deg C): -58.33 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 16 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.13E+003 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 10.1
log Kow used: 4.08 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.3755 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.50E-001 atm-m3/mole (4.56E+004 Pa-m3/mole)
Group Method: 4.66E-001 atm-m3/mole (4.72E+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: 2.339E-001 atm-m3/mole (2.370E+004 Pa-m3/mole)
VP: 16 mm Hg (source: MPBPVP)
WS: 10.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.08 (KowWin est)
Log Kaw used: 1.265 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.815
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8026
Biowin2 (Non-Linear Model) : 0.9630
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2495 (weeks )
Biowin4 (Primary Survey Model) : 3.9549 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6283
Biowin6 (MITI Non-Linear Model): 0.7969
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3422
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.8632
BioHC Half-Life (days) : 7.2986
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.99E+003 Pa (14.9 mm Hg)
Log Koa (Koawin est ): 2.815
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.51E-009
Octanol/air (Koa) model: 1.6E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.45E-008
Mackay model : 1.21E-007
Octanol/air (Koa) model: 1.28E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.6840 E-12 cm3/molecule-sec
Half-Life = 1.882 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 22.581 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.77E-008 (Junge-Pankow, Mackay avg)
1.28E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 446.1 L/kg (MCI method)
Log Koc: 2.649 (MCI method)
Koc : 3472 L/kg (Kow method)
Log Koc: 3.541 (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 = 2.362 (BCF = 230 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0115 days (HL = 1.027 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.509 (BCF = 323.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.510 (BAF = 323.4)
log Kow used: 4.08 (estimated)
Volatilization from Water:
Henry LC: 0.45 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.082 hours
Half-Life from Model Lake : 100.6 hours (4.193 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.51 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 19.56 percent
Total to Air: 79.88 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 33.1 45.2 1000
Water 63.1 360 1000
Soil 2.72 720 1000
Sediment 1.13 3.24e+003 0
Persistence Time: 97.5 hr