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CAS Number: 64742-60-5
SMILES : CCCCC(CCCCC)CCCCC(CCCCC)CCCCC
CHEM : Hydrocarbon waxes (petroleum), hydrotreated microcryst.
MOL FOR: C25 H52
MOL WT : 352.69
------------------------------ 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) = 12.47
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 378.45 (Adapted Stein & Brown method)
Melting Pt (deg C): 78.09 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.94E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00258 (Modified Grain method)
Subcooled liquid VP: 6.19E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00826 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3.871e-008
log Kow used: 12.47 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.5269e-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 : 3.72E+002 atm-m3/mole (3.77E+007 Pa-m3/mole)
Group Method: 1.73E+003 atm-m3/mole (1.75E+008 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: 2.326E+002 atm-m3/mole (2.357E+007 Pa-m3/mole)
VP: 1.94E-005 mm Hg (source: MPBPVP)
WS: 3.87E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 12.47 (KowWin est)
Log Kaw used: 4.182 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.288
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0134
Biowin2 (Non-Linear Model) : 0.9954
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.6131 (days-weeks )
Biowin4 (Primary Survey Model) : 4.4152 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5021
Biowin6 (MITI Non-Linear Model): 0.5945
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5910
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.9458
BioHC Half-Life (days) : 88.2728
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00825 Pa (6.19E-005 mm Hg)
Log Koa (Koawin est ): 8.288
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000363
Octanol/air (Koa) model: 4.76E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.013
Mackay model : 0.0283
Octanol/air (Koa) model: 0.0038
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 33.6803 E-12 cm3/molecule-sec
Half-Life = 0.318 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.811 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0206 (Junge-Pankow, Mackay avg)
0.0038 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.001E+007 L/kg (MCI method)
Log Koc: 7.000 (MCI method)
Koc : 6.642E+010 L/kg (Kow method)
Log Koc: 10.822 (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 = 1.443 (BCF = 27.72 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.5857 days (HL = 385.2 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.012 (BCF = 1.029)
Log BAF Arnot-Gobas method (upper trophic) = 2.739 (BAF = 548.6)
log Kow used: 12.47 (estimated)
Volatilization from Water:
Henry LC: 372 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.916 hours
Half-Life from Model Lake : 178.4 hours (7.432 days)
Removal In Wastewater Treatment:
Total removal: 94.05 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.18 percent
Total to Air: 0.09 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.7 7.62 1000
Water 61.4 208 1000
Soil 33.9 416 1000
Sediment 0.0761 1.87e+003 0
Persistence Time: 126 hr