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: 540-09-0
SMILES : O=C(CCCCCCCCCCC)CCCCCCCCCCC
CHEM : 12-Tricosanone
MOL FOR: C23 H46 O1
MOL WT : 338.62
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 9.59
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 391.90 (Adapted Stein & Brown method)
Melting Pt (deg C): 120.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.14E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00152 (Modified Grain method)
MP (exp database): 70.2 deg C
Subcooled liquid VP: 3.04E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00405 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4.712e-005
log Kow used: 9.59 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.8358e-005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.43E-002 atm-m3/mole (1.45E+003 Pa-m3/mole)
Group Method: 3.97E-002 atm-m3/mole (4.02E+003 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: 1.078E-001 atm-m3/mole (1.092E+004 Pa-m3/mole)
VP: 1.14E-005 mm Hg (source: MPBPVP)
WS: 4.71E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 9.59 (KowWin est)
Log Kaw used: -0.233 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.823
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8100
Biowin2 (Non-Linear Model) : 0.8076
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0251 (weeks )
Biowin4 (Primary Survey Model) : 3.8751 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8116
Biowin6 (MITI Non-Linear Model): 0.9013
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1694
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): 0.00405 Pa (3.04E-005 mm Hg)
Log Koa (Koawin est ): 9.823
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00074
Octanol/air (Koa) model: 0.00163
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.026
Mackay model : 0.0559
Octanol/air (Koa) model: 0.116
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 33.0989 E-12 cm3/molecule-sec
Half-Life = 0.323 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.878 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.041 (Junge-Pankow, Mackay avg)
0.116 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4.23E+005 L/kg (MCI method)
Log Koc: 5.626 (MCI method)
Koc : 2.662E+006 L/kg (Kow method)
Log Koc: 6.425 (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 = 2.260 (BCF = 181.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4032 days (HL = 25.31 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.119 (BCF = 13.16)
Log BAF Arnot-Gobas method (upper trophic) = 3.871 (BAF = 7427)
log Kow used: 9.59 (estimated)
Volatilization from Water:
Henry LC: 0.0397 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.905 hours
Half-Life from Model Lake : 175.1 hours (7.295 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 0.734 7.76 1000
Water 24.3 360 1000
Soil 73.4 720 1000
Sediment 1.55 3.24e+003 0
Persistence Time: 465 hr