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CAS Num: 000593-49-7


CHEM : Heptacosane

MOL FOR: C27 H56

MOL WT : 380.75

------------------------------ 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) = 13.60

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 415.64 (Adapted Stein & Brown method)

Melting Pt (deg C): 124.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.84E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000131 (Modified Grain method)

MP (exp database): 59.5 deg C

BP (exp database): 442 deg C

VP (exp database): 2.81E-07 mm Hg (3.75E-005 Pa) at 25 deg C

Subcooled liquid VP: 6.16E-007 mm Hg (25 deg C, exp database VP )

: 8.22E-005 Pa (25 deg C, exp database VP )

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 2.834e-009

log Kow used: 13.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.8075e-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 : 6.55E+002 atm-m3/mole (6.64E+007 Pa-m3/mole)

Group Method: 2.39E+003 atm-m3/mole (2.42E+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: 1.739E+002 atm-m3/mole (1.763E+007 Pa-m3/mole)

VP: 9.84E-007 mm Hg (source: MPBPVP)

WS: 2.83E-009 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 13.60 (KowWin est)

Log Kaw used: 4.428 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.172

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7831

Biowin2 (Non-Linear Model) : 0.7841

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9544 (weeks )

Biowin4 (Primary Survey Model) : 3.8366 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8156

Biowin6 (MITI Non-Linear Model): 0.9097

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6912

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.9560

BioHC Half-Life (days) : 90.3707

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 8.21E-005 Pa (6.16E-007 mm Hg)

Log Koa (Koawin est ): 9.172

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.0365

Octanol/air (Koa) model: 0.000365

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.569

Mackay model : 0.745

Octanol/air (Koa) model: 0.0284

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.1323 E-12 cm3/molecule-sec

Half-Life = 0.304 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.653 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.657 (Junge-Pankow, Mackay avg)

0.0284 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.914E+007 L/kg (MCI method)

Log Koc: 7.593 (MCI method)

Koc : 6.354E+011 L/kg (Kow method)

Log Koc: 11.803 (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 = 0.889 (BCF = 7.753 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.8299 days (HL = 675.9 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.043 (BCF = 0.9061)

Log BAF Arnot-Gobas method (upper trophic) = 1.770 (BAF = 58.83)

log Kow used: 13.60 (estimated)

Volatilization from Water:

Henry LC: 655 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.991 hours

Half-Life from Model Lake : 185.3 hours (7.722 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.6 7.31 1000

Water 54.1 360 1000

Soil 43.2 720 1000

Sediment 0.0314 3.24e+003 0

Persistence Time: 211 hr

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