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 Number: 111-01-3
SMILES : C(CCCC(CCCC(CCCCC(CCCC(CCCC(C)C)C)C)C)C)(C)C
CHEM : Tetracosane, 2,6,10,15,19,23-hexamethyl-
MOL FOR: C30 H62
MOL WT : 422.83
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 14.63
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 408.49 (Adapted Stein & Brown method)
Melting Pt (deg C): 74.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000275 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0367 (Modified Grain method)
MP (exp database): -38 deg C
BP (exp database): 350 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.042e-010
log Kow used: 14.63 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.2283e-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 : 1.53E+003 atm-m3/mole (1.55E+008 Pa-m3/mole)
Group Method: 2.03E+004 atm-m3/mole (2.06E+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: 7.493E+005 atm-m3/mole (7.592E+010 Pa-m3/mole)
VP: 0.000275 mm Hg (source: MPBPVP)
WS: 2.04E-010 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 14.63 (KowWin est)
Log Kaw used: 4.796 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.834
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5462
Biowin2 (Non-Linear Model) : 0.0476
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2648 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2377 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0559
Biowin6 (MITI Non-Linear Model): 0.0372
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3798
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.5230
BioHC Half-Life (days) : 333.4541
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0367 Pa (0.000275 mm Hg)
Log Koa (Koawin est ): 9.834
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.18E-005
Octanol/air (Koa) model: 0.00167
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00295
Mackay model : 0.0065
Octanol/air (Koa) model: 0.118
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.4595 E-12 cm3/molecule-sec
Half-Life = 0.264 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.172 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00472 (Junge-Pankow, Mackay avg)
0.118 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.007E+008 L/kg (MCI method)
Log Koc: 8.003 (MCI method)
Koc : 4.977E+012 L/kg (Kow method)
Log Koc: 12.697 (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) = 3.0766 days (HL = 1193 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8945)
Log BAF Arnot-Gobas method (upper trophic) = 0.889 (BAF = 7.742)
log Kow used: 14.63 (estimated)
Volatilization from Water:
Henry LC: 1.53E+003 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.098 hours
Half-Life from Model Lake : 195.3 hours (8.138 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.25 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.7 6.35 1000
Water 61.4 900 1000
Soil 36.8 1.8e+003 1000
Sediment 0.0173 8.1e+003 0
Persistence Time: 307 hr