This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
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