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CAS Num: 007194-84-5
SMILES : C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C
CHEM : Heptatriacontane
MOL FOR: C37 H76
MOL WT : 521.02
------------------------------ 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) = 18.51
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 531.68 (Adapted Stein & Brown method)
Melting Pt (deg C): 215.19 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.09E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 8.12E-008 (Modified Grain method)
BP (exp database): 505 deg C
Subcooled liquid VP: 6.46E-008 mm Hg (25 deg C, Mod-Grain method)
: 8.62E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.363e-014
log Kow used: 18.51 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.2102e-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 : 1.11E+004 atm-m3/mole (1.13E+009 Pa-m3/mole)
Group Method: 7.56E+004 atm-m3/mole (7.66E+009 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: 1.767E+004 atm-m3/mole (1.790E+009 Pa-m3/mole)
VP: 6.09E-010 mm Hg (source: MPBPVP)
WS: 2.36E-014 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 18.51 (KowWin est)
Log Kaw used: 5.657 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.853
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7164
Biowin2 (Non-Linear Model) : 0.3313
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6445 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6342 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8925
Biowin6 (MITI Non-Linear Model): 0.9280
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9511
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.7977
BioHC Half-Life (days) : 627.6909
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 8.61E-006 Pa (6.46E-008 mm Hg)
Log Koa (Koawin est ): 12.853
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.348
Octanol/air (Koa) model: 1.75
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.926
Mackay model : 0.965
Octanol/air (Koa) model: 0.993
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 49.2628 E-12 cm3/molecule-sec
Half-Life = 0.217 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.605 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.946 (Junge-Pankow, Mackay avg)
0.993 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1E+010 L/kg (MCI method)
Log Koc: 10.199 (MCI method)
Koc : 1.16E+016 L/kg (Kow method)
Log Koc: 16.064 (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) = 4.2214 days (HL = 1.665e+004 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8943)
log Kow used: 18.51 (estimated)
Volatilization from Water:
Henry LC: 1.11E+004 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.329 hours
Half-Life from Model Lake : 216.8 hours (9.034 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 0.302 5.21 1000
Water 21.5 900 1000
Soil 78.2 1.8e+003 1000
Sediment 7.92e-005 8.1e+003 0
Persistence Time: 898 hr