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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

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