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CAS Num: 000629-92-5

SMILES : C(CCCCCCCCCCCCCCCCC)C

CHEM : Nonadecane

MOL FOR: C19 H40

MOL WT : 268.53

------------------------------ 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) = 9.67

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

Boiling Pt (deg C): 321.11 (Adapted Stein & Brown method)

Melting Pt (deg C): 41.51 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000673 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0897 (Modified Grain method)

MP (exp database): 32.1 deg C

BP (exp database): 329.9 deg C

VP (exp database): 4.90E-05 mm Hg (6.53E-003 Pa) at 25 deg C

Subcooled liquid VP: 5.76E-005 mm Hg (25 deg C, exp database VP )

: 0.00768 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 2.971e-005

log Kow used: 9.67 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.5413e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 6.79E+001 atm-m3/mole (6.88E+006 Pa-m3/mole)

Group Method: 1.51E+002 atm-m3/mole (1.53E+007 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: 8.004E+000 atm-m3/mole (8.110E+005 Pa-m3/mole)

VP: 0.000673 mm Hg (source: MPBPVP)

WS: 2.97E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.67 (KowWin est)

Log Kaw used: 3.443 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.227

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8366

Biowin2 (Non-Linear Model) : 0.9470

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2024 (weeks )

Biowin4 (Primary Survey Model) : 3.9985 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7542

Biowin6 (MITI Non-Linear Model): 0.8922

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4833

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.5353

BioHC Half-Life (days) : 34.2977

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

Vapor pressure (liquid/subcooled): 0.00768 Pa (5.76E-005 mm Hg)

Log Koa (Koawin est ): 6.227

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

Mackay model : 0.000391

Octanol/air (Koa) model: 4.14E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0139

Mackay model : 0.0303

Octanol/air (Koa) model: 3.31E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.8279 E-12 cm3/molecule-sec

Half-Life = 0.449 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.387 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0221 (Junge-Pankow, Mackay avg)

3.31E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.217E+005 L/kg (MCI method)

Log Koc: 5.507 (MCI method)

Koc : 2.467E+008 L/kg (Kow method)

Log Koc: 8.392 (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 = 2.218 (BCF = 165.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7167 days (HL = 52.08 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.311 (BCF = 20.44)

Log BAF Arnot-Gobas method (upper trophic) = 4.429 (BAF = 2.687e+004)

log Kow used: 9.67 (estimated)

Volatilization from Water:

Henry LC: 67.9 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.672 hours

Half-Life from Model Lake : 155.6 hours (6.485 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 95.30 percent

Total biodegradation: 0.65 percent

Total sludge adsorption: 86.17 percent

Total to Air: 8.48 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.5 10.8 1000

Water 83 360 1000

Soil 7.11 720 1000

Sediment 3.36 3.24e+003 0

Persistence Time: 136 hr

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