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: 544-57-0
SMILES : O=C(C(O)CCCCCCCCCCCCCCCCCCCCCC)O
CHEM : 2-HYDROXYTETRACOSANOIC ACID
MOL FOR: C24 H48 O3
MOL WT : 384.65
------------------------------ EPI SUMMARY (v4.11) --------------------------
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 v1.68 estimate) = 9.66
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 484.38 (Adapted Stein & Brown method)
Melting Pt (deg C): 194.03 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.36E-012 (Modified Grain method)
VP (Pa, 25 deg C) : 1.25E-009 (Modified Grain method)
Subcooled liquid VP: 5.59E-010 mm Hg (25 deg C, Mod-Grain method)
: 7.45E-008 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0001709
log Kow used: 9.66 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0003084 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.35E-005 atm-m3/mole (4.41E+000 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.772E-008 atm-m3/mole (2.809E-003 Pa-m3/mole)
VP: 9.36E-012 mm Hg (source: MPBPVP)
WS: 0.000171 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 9.66 (KowWin est)
Log Kaw used: -2.750 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.410
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9043
Biowin2 (Non-Linear Model) : 0.7597
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1721 (weeks )
Biowin4 (Primary Survey Model) : 4.0769 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8976
Biowin6 (MITI Non-Linear Model): 0.9241
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1383
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 7.45E-008 Pa (5.59E-010 mm Hg)
Log Koa (Koawin est ): 12.410
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 40.3
Octanol/air (Koa) model: 0.631
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 1
Octanol/air (Koa) model: 0.981
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 36.5008 E-12 cm3/molecule-sec
Half-Life = 0.293 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.516 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.981 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.374E+004 L/kg (MCI method)
Log Koc: 4.528 (MCI method)
Koc : 1.223E+005 L/kg (Kow method)
Log Koc: 5.088 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3614 days (HL = 22.98 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.012 (BCF = 10.27)
Log BAF Arnot-Gobas method (upper trophic) = 3.700 (BAF = 5010)
log Kow used: 9.66 (estimated)
Volatilization from Water:
Henry LC: 4.35E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 28.4 hours (1.183 days)
Half-Life from Model Lake : 474.3 hours (19.76 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 0.452 7.03 1000
Water 21.8 360 1000
Soil 77.6 720 1000
Sediment 0.0955 3.24e+003 0
Persistence Time: 533 hr