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CAS Number: 594-11-6
SMILES : C(C1)(C1)C
CHEM : Cyclopropane, methyl-
MOL FOR: C4 H8
MOL WT : 56.11
------------------------------ 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) = 2.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 24.14 (Adapted Stein & Brown method)
Melting Pt (deg C): -109.97 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.74E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.32E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -177.3 deg C
BP (exp database): 0.7 deg C
VP (exp database): 1.58E+03 mm Hg (2.11E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 615.4
log Kow used: 2.12 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 96.715 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.45E-001 atm-m3/mole (1.47E+004 Pa-m3/mole)
Group Method: 1.17E-001 atm-m3/mole (1.19E+004 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: 9.118E-002 atm-m3/mole (9.238E+003 Pa-m3/mole)
VP: 1.74E+003 mm Hg (source: MPBPVP)
WS: 615 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.12 (KowWin est)
Log Kaw used: 0.773 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 1.347
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7208
Biowin2 (Non-Linear Model) : 0.9013
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0752 (weeks )
Biowin4 (Primary Survey Model) : 3.7668 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5975
Biowin6 (MITI Non-Linear Model): 0.7806
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5559
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.5976
BioHC Half-Life (days) : 3.9594
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.11E+005 Pa (1.58E+003 mm Hg)
Log Koa (Koawin est ): 1.347
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.42E-011
Octanol/air (Koa) model: 5.46E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.14E-010
Mackay model : 1.14E-009
Octanol/air (Koa) model: 4.37E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2825 E-12 cm3/molecule-sec
Half-Life = 37.862 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.27E-010 (Junge-Pankow, Mackay avg)
4.37E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 38.64 L/kg (MCI method)
Log Koc: 1.587 (MCI method)
Koc : 69.11 L/kg (Kow method)
Log Koc: 1.840 (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 = 1.066 (BCF = 11.63 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5792 days (HL = 0.2635 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.095 (BCF = 12.45)
Log BAF Arnot-Gobas method (upper trophic) = 1.095 (BAF = 12.45)
log Kow used: 2.12 (estimated)
Volatilization from Water:
Henry LC: 0.145 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 0.7674 hours (46.04 min)
Half-Life from Model Lake : 71.18 hours (2.966 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.25 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.59 percent
Total to Air: 97.65 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 54.7 909 1000
Water 44.2 360 1000
Soil 0.978 720 1000
Sediment 0.152 3.24e+003 0
Persistence Time: 139 hr