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: 14930-96-2
SMILES : c1ccccc1CC2C3C(C)C(=C)C(O)C4C=CCC(C)CCCC(O)C=CC(=O)OC34C(=O)N2
CHEM : Cytochalasen-B
MOL FOR: C29 H37 N1 O5
MOL WT : 479.62
------------------------------ 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) = 3.25
Log Kow (Exper. database match) = 3.37
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 701.79 (Adapted Stein & Brown method)
Melting Pt (deg C): 306.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.04E-020 (Modified Grain method)
VP (Pa, 25 deg C) : 1.39E-018 (Modified Grain method)
Subcooled liquid VP: 1.49E-017 mm Hg (25 deg C, Mod-Grain method)
: 1.99E-015 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.28
log Kow used: 3.37 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.9969 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Vinyl/Allyl Alcohols
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.28E-016 atm-m3/mole (2.31E-011 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: 5.128E-021 atm-m3/mole (5.195E-016 Pa-m3/mole)
VP: 1.04E-020 mm Hg (source: MPBPVP)
WS: 1.28 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.37 (exp database)
Log Kaw used: -14.031 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.401
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2198
Biowin2 (Non-Linear Model) : 0.9971
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2802 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6320 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3349
Biowin6 (MITI Non-Linear Model): 0.0077
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8136
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.99E-015 Pa (1.49E-017 mm Hg)
Log Koa (Koawin est ): 17.401
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.51E+009
Octanol/air (Koa) model: 6.18E+004
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 178.0895 E-12 cm3/molecule-sec
Half-Life = 0.060 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.721 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 22.337502 E-17 cm3/molecule-sec
Half-Life = 0.051 Days (at 7E11 mol/cm3)
Half-Life = 1.231 Hrs
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.414E+004 L/kg (MCI method)
Log Koc: 4.150 (MCI method)
Koc : 75.01 L/kg (Kow method)
Log Koc: 1.875 (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 = 1.891 (BCF = 77.72 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1618 days (HL = 0.0689 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.420 (BCF = 26.28)
Log BAF Arnot-Gobas method (upper trophic) = 1.420 (BAF = 26.28)
log Kow used: 3.37 (expkow database)
Volatilization from Water:
Henry LC: 2.28E-016 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 5.624E+012 hours (2.343E+011 days)
Half-Life from Model Lake : 6.135E+013 hours (2.556E+012 days)
Removal In Wastewater Treatment:
Total removal: 10.40 percent
Total biodegradation: 0.16 percent
Total sludge adsorption: 10.23 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 0.0253 0.664 1000
Water 14.9 900 1000
Soil 72.9 1.8e+003 1000
Sediment 12.2 8.1e+003 0
Persistence Time: 1.21e+003 hr