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CAS Num: 000638-68-6
SMILES : C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)C
CHEM : Triacontane
MOL FOR: C30 H62
MOL WT : 422.83
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 15.07
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 450.46 (Adapted Stein & Brown method)
Melting Pt (deg C): 152.03 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.62E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 7.49E-005 (Modified Grain method)
MP (exp database): 65.8 deg C
BP (exp database): 449.7 deg C
VP (exp database): 2.73E-11 mm Hg (3.64E-009 Pa) at 25 deg C
Subcooled liquid VP: 6.91E-011 mm Hg (25 deg C, exp database VP )
: 9.22E-009 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 8.579e-011
log Kow used: 15.07 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.2283e-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 : 1.53E+003 atm-m3/mole (1.55E+008 Pa-m3/mole)
Group Method: 6.74E+003 atm-m3/mole (6.83E+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: 3.645E+003 atm-m3/mole (3.693E+008 Pa-m3/mole)
VP: 5.62E-007 mm Hg (source: MPBPVP)
WS: 8.58E-011 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 15.07 (KowWin est)
Log Kaw used: 4.796 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.274
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7631
Biowin2 (Non-Linear Model) : 0.6664
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8615 (weeks )
Biowin4 (Primary Survey Model) : 3.7758 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8387
Biowin6 (MITI Non-Linear Model): 0.9156
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7692
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.1552
BioHC Half-Life (days) : 142.9654
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 9.21E-009 Pa (6.91E-011 mm Hg)
Log Koa (Koawin est ): 10.274
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 326
Octanol/air (Koa) model: 0.00461
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.27
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 39.3714 E-12 cm3/molecule-sec
Half-Life = 0.272 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.260 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.27 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.369E+008 L/kg (MCI method)
Log Koc: 8.375 (MCI method)
Koc : 1.199E+013 L/kg (Kow method)
Log Koc: 13.079 (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 v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.2474 days (HL = 1767 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8936)
Log BAF Arnot-Gobas method (upper trophic) = 0.565 (BAF = 3.676)
log Kow used: 15.07 (estimated)
Volatilization from Water:
Henry LC: 1.53E+003 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.098 hours
Half-Life from Model Lake : 195.3 hours (8.138 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.52 6.52 1000
Water 40.1 360 1000
Soil 58.4 720 1000
Sediment 0.00477 3.24e+003 0
Persistence Time: 285 hr