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: 30208-87-8
SMILES : CCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
CHEM :
MOL FOR: C23 H46 O4
MOL WT : 386.62
------------------------------ 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) = 7.60
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 471.56 (Adapted Stein & Brown method)
Melting Pt (deg C): 182.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.08E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 1.44E-009 (Modified Grain method)
Subcooled liquid VP: 4.75E-010 mm Hg (25 deg C, Mod-Grain method)
: 6.33E-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): 0.001201
log Kow used: 7.60 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.010582 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.78E-008 atm-m3/mole (6.87E-003 Pa-m3/mole)
Group Method: 2.45E-011 atm-m3/mole (2.48E-006 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: 4.575E-009 atm-m3/mole (4.635E-004 Pa-m3/mole)
VP: 1.08E-011 mm Hg (source: MPBPVP)
WS: 0.0012 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.60 (KowWin est)
Log Kaw used: -5.557 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.157
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1636
Biowin2 (Non-Linear Model) : 0.9966
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1033 (weeks )
Biowin4 (Primary Survey Model) : 4.0469 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.1660
Biowin6 (MITI Non-Linear Model): 0.9870
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2301
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): 6.33E-008 Pa (4.75E-010 mm Hg)
Log Koa (Koawin est ): 13.157
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 47.4
Octanol/air (Koa) model: 3.52
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 1
Octanol/air (Koa) model: 0.996
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.6926 E-12 cm3/molecule-sec
Half-Life = 0.263 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.154 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.996 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3541 L/kg (MCI method)
Log Koc: 3.549 (MCI method)
Koc : 1.739E+004 L/kg (Kow method)
Log Koc: 4.240 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.553E-002 L/mol-sec
Kb Half-Life at pH 8: 1.414 years
Kb Half-Life at pH 7: 14.145 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.234 (BCF = 1715 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5051 days (HL = 0.3125 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.173 (BCF = 14.9)
Log BAF Arnot-Gobas method (upper trophic) = 1.215 (BAF = 16.4)
log Kow used: 7.60 (estimated)
Volatilization from Water:
Henry LC: 6.78E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.698E+004 hours (707.6 days)
Half-Life from Model Lake : 1.854E+005 hours (7726 days)
Removal In Wastewater Treatment:
Total removal: 93.99 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.21 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 0.42 6.31 1000
Water 21.9 360 1000
Soil 76.8 720 1000
Sediment 0.817 3.24e+003 0
Persistence Time: 530 hr