SMILES : C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)C
CHEM : Triacontane
CAS NUM: 000638-68-6
MOL FOR: C30 H62
MOL WT : 422.83
------------------------------ EPI SUMMARY (v3.20) --------------------------
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 v1.42):
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)
MP (exp database): 65.8 deg C
BP (exp database): 449.7 deg C
VP (exp database): 2.73E-11 mm Hg at 25 deg C
Subcooled liquid VP: 6.91E-011 mm Hg (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 v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.53E+003 atm-m3/mole
Group Method: 6.74E+003 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 3.645E+003 atm-m3/mole
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,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 3.577E+008
Log Koc: 8.553
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
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: 6.008 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 0.225 6.52 1000
Water 3.72 360 1000
Soil 28.2 720 1000
Sediment 67.8 3.24e+003 0
Persistence Time: 1.25e+003 hr