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CAS Number: 1795-16-0
SMILES : C(CCCC1)(C1)CCCCCCCCCC
CHEM : Cyclohexane, decyl-
MOL FOR: C16 H32
MOL WT : 224.43
------------------------------ 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) = 8.01
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 284.13 (Adapted Stein & Brown method)
Melting Pt (deg C): 28.27 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00377 (Modified Grain method)
VP (Pa, 25 deg C) : 0.502 (Modified Grain method)
MP (exp database): -1.7 deg C
BP (exp database): 299 deg C
VP (exp database): 1.03E-03 mm Hg (1.37E-001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.001358
log Kow used: 8.01 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00057793 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.34E+000 atm-m3/mole (4.40E+005 Pa-m3/mole)
Group Method: 7.39E+000 atm-m3/mole (7.48E+005 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: 8.198E-001 atm-m3/mole (8.307E+004 Pa-m3/mole)
VP: 0.00377 mm Hg (source: MPBPVP)
WS: 0.00136 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.01 (KowWin est)
Log Kaw used: 2.249 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.761
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7491
Biowin2 (Non-Linear Model) : 0.8410
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0015 (weeks )
Biowin4 (Primary Survey Model) : 3.7930 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6007
Biowin6 (MITI Non-Linear Model): 0.7280
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1121
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.4616
BioHC Half-Life (days) : 28.9437
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.137 Pa (0.00103 mm Hg)
Log Koa (Koawin est ): 5.761
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.18E-005
Octanol/air (Koa) model: 1.42E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000788
Mackay model : 0.00174
Octanol/air (Koa) model: 1.13E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 23.2958 E-12 cm3/molecule-sec
Half-Life = 0.459 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.510 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00127 (Junge-Pankow, Mackay avg)
1.13E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.428E+004 L/kg (MCI method)
Log Koc: 4.735 (MCI method)
Koc : 8.943E+006 L/kg (Kow method)
Log Koc: 6.951 (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 = 3.031 (BCF = 1074 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3409 days (HL = 21.93 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.560 (BCF = 363.2)
Log BAF Arnot-Gobas method (upper trophic) = 5.120 (BAF = 1.319e+005)
log Kow used: 8.01 (estimated)
Volatilization from Water:
Henry LC: 4.34 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.529 hours
Half-Life from Model Lake : 142.3 hours (5.929 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 96.65 percent
Total biodegradation: 0.51 percent
Total sludge adsorption: 78.55 percent
Total to Air: 17.59 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 5.98 11 1000
Water 62.7 360 1000
Soil 15 720 1000
Sediment 16.3 3.24e+003 0
Persistence Time: 157 hr