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: 107-40-4
SMILES : C(=CC(C)(C)C)(C)C
CHEM : 2-Pentene, 2,4,4-trimethyl-
MOL FOR: C8 H16
MOL WT : 112.22
------------------------------ 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) = 4.00
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 97.02 (Adapted Stein & Brown method)
Melting Pt (deg C): -83.43 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 35.3 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.71E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): -106.3 deg C
BP (exp database): 104.9 deg C
VP (exp database): 3.59E+01 mm Hg (4.79E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 11.91
log Kow used: 4.00 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 34.192 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.81E-001 atm-m3/mole (8.92E+004 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: 4.376E-001 atm-m3/mole (4.434E+004 Pa-m3/mole)
VP: 35.3 mm Hg (source: MPBPVP)
WS: 11.9 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.00 (KowWin est)
Log Kaw used: 1.557 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.443
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5102
Biowin2 (Non-Linear Model) : 0.4236
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7391 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5324 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4542
Biowin6 (MITI Non-Linear Model): 0.4528
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0305
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.6732
BioHC Half-Life (days) : 4.7123
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 4.79E+003 Pa (35.9 mm Hg)
Log Koa (Koawin est ): 2.443
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.27E-010
Octanol/air (Koa) model: 6.81E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.26E-008
Mackay model : 5.01E-008
Octanol/air (Koa) model: 5.45E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 87.6738 E-12 cm3/molecule-sec
Half-Life = 0.122 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.464 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
3.64E-008 (Junge-Pankow, Mackay avg)
5.45E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 240.3 L/kg (MCI method)
Log Koc: 2.381 (MCI method)
Koc : 2959 L/kg (Kow method)
Log Koc: 3.471 (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 = 2.306 (BCF = 202.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.4306 days (HL = 2.695 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.735 (BCF = 543)
Log BAF Arnot-Gobas method (upper trophic) = 2.736 (BAF = 545)
log Kow used: 4.00 (estimated)
Volatilization from Water:
Henry LC: 0.881 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.082 hours
Half-Life from Model Lake : 100.6 hours (4.193 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.75 percent
Total biodegradation: 0.06 percent
Total sludge adsorption: 17.19 percent
Total to Air: 82.49 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.76 1.18 1000
Water 95.4 900 1000
Soil 1.5 1.8e+003 1000
Sediment 1.32 8.1e+003 0
Persistence Time: 81.8 hr