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CAS Number: 6703-82-8
SMILES : CCCCCCCCCCCCCCCCCCCCCC1CCCC1
CHEM : 1-CYCLOPENTYLHENEICOSANE
MOL FOR: C26 H52
MOL WT : 364.70
------------------------------ 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) = 12.92
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 408.14 (Adapted Stein & Brown method)
Melting Pt (deg C): 122.59 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.74E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000632 (Modified Grain method)
MP (exp database): 42 deg C
BP (exp database): 420 deg C
Subcooled liquid VP: 6.76E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000902 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.345e-008
log Kow used: 12.92 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.647e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.37E+001 atm-m3/mole (7.47E+006 Pa-m3/mole)
Group Method: 2.34E+002 atm-m3/mole (2.37E+007 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: 1.691E+002 atm-m3/mole (1.714E+007 Pa-m3/mole)
VP: 4.74E-006 mm Hg (source: MPBPVP)
WS: 1.35E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 12.92 (KowWin est)
Log Kaw used: 3.479 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.441
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6823
Biowin2 (Non-Linear Model) : 0.4191
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6916 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5906 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7072
Biowin6 (MITI Non-Linear Model): 0.8058
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5180
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.1032
BioHC Half-Life (days) : 126.8227
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.000901 Pa (6.76E-006 mm Hg)
Log Koa (Koawin est ): 9.441
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00333
Octanol/air (Koa) model: 0.000678
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.107
Mackay model : 0.21
Octanol/air (Koa) model: 0.0514
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.0919 E-12 cm3/molecule-sec
Half-Life = 0.314 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.765 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.159 (Junge-Pankow, Mackay avg)
0.0514 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.194E+007 L/kg (MCI method)
Log Koc: 7.341 (MCI method)
Koc : 1.633E+011 L/kg (Kow method)
Log Koc: 11.213 (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 = 1.221 (BCF = 16.64 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.6604 days (HL = 457.5 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.024 (BCF = 0.9454)
Log BAF Arnot-Gobas method (upper trophic) = 2.341 (BAF = 219.3)
log Kow used: 12.92 (estimated)
Volatilization from Water:
Henry LC: 73.7 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.949 hours
Half-Life from Model Lake : 181.4 hours (7.558 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.25 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.952 7.53 1000
Water 34.5 900 1000
Soil 64.4 1.8e+003 1000
Sediment 0.109 8.1e+003 0
Persistence Time: 546 hr