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CAS Number: 1795-18-2
SMILES : C(CCCC1)(C1)CCCCCCCCCCCCCC
CHEM : Cyclohexane, tetradecyl-
MOL FOR: C20 H40
MOL WT : 280.54
------------------------------ 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) = 9.98
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 339.42 (Adapted Stein & Brown method)
Melting Pt (deg C): 58.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000163 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0218 (Modified Grain method)
MP (exp database): 24 deg C
BP (exp database): 360 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.393e-005
log Kow used: 9.98 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.137e-006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.35E+001 atm-m3/mole (1.37E+006 Pa-m3/mole)
Group Method: 2.94E+001 atm-m3/mole (2.98E+006 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: 4.319E+000 atm-m3/mole (4.377E+005 Pa-m3/mole)
VP: 0.000163 mm Hg (source: MPBPVP)
WS: 1.39E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 9.98 (KowWin est)
Log Kaw used: 2.742 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.238
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7224
Biowin2 (Non-Linear Model) : 0.7045
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8775 (weeks )
Biowin4 (Primary Survey Model) : 3.7121 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6314
Biowin6 (MITI Non-Linear Model): 0.7470
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2160
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.7272
BioHC Half-Life (days) : 53.3530
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0217 Pa (0.000163 mm Hg)
Log Koa (Koawin est ): 7.238
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000138
Octanol/air (Koa) model: 4.25E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00496
Mackay model : 0.0109
Octanol/air (Koa) model: 0.00034
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 28.9480 E-12 cm3/molecule-sec
Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.434 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00794 (Junge-Pankow, Mackay avg)
0.00034 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.988E+005 L/kg (MCI method)
Log Koc: 5.777 (MCI method)
Koc : 4.584E+008 L/kg (Kow method)
Log Koc: 8.661 (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 = 2.069 (BCF = 117.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.8976 days (HL = 78.99 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.171 (BCF = 14.82)
Log BAF Arnot-Gobas method (upper trophic) = 4.438 (BAF = 2.742e+004)
log Kow used: 9.98 (estimated)
Volatilization from Water:
Henry LC: 13.5 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.709 hours
Half-Life from Model Lake : 159.1 hours (6.629 days)
Removal In Wastewater Treatment:
Total removal: 94.19 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 92.40 percent
Total to Air: 1.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.5 8.87 1000
Water 58.3 360 1000
Soil 36 720 1000
Sediment 2.15 3.24e+003 0
Persistence Time: 195 hr