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: 2402-06-4
SMILES : C(C1C)C1C
CHEM : CYCLOPROPANE, 1,2-DIMETHYL-, TRANS-
MOL FOR: C5 H10
MOL WT : 70.14
------------------------------ 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) = 2.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 42.89 (Adapted Stein & Brown method)
Melting Pt (deg C): -100.98 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 679 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 9.05E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -149.6 deg C
BP (exp database): 28.2 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 267.5
log Kow used: 2.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 36.597 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.92E-001 atm-m3/mole (1.95E+004 Pa-m3/mole)
Group Method: 1.99E-001 atm-m3/mole (2.01E+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: 2.343E-001 atm-m3/mole (2.374E+004 Pa-m3/mole)
VP: 679 mm Hg (source: MPBPVP)
WS: 268 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.54 (KowWin est)
Log Kaw used: 0.895 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 1.645
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7142
Biowin2 (Non-Linear Model) : 0.8821
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0442 (weeks )
Biowin4 (Primary Survey Model) : 3.7465 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5489
Biowin6 (MITI Non-Linear Model): 0.6265
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6358
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.4392
BioHC Half-Life (days) : 2.7492
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 9.04E+004 Pa (678 mm Hg)
Log Koa (Koawin est ): 1.645
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.32E-011
Octanol/air (Koa) model: 1.08E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.2E-009
Mackay model : 2.65E-009
Octanol/air (Koa) model: 8.67E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.4802 E-12 cm3/molecule-sec
Half-Life = 22.273 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.93E-009 (Junge-Pankow, Mackay avg)
8.67E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 63.26 L/kg (MCI method)
Log Koc: 1.801 (MCI method)
Koc : 160 L/kg (Kow method)
Log Koc: 2.204 (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 = 1.341 (BCF = 21.94 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3254 days (HL = 0.4728 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.487 (BCF = 30.72)
Log BAF Arnot-Gobas method (upper trophic) = 1.487 (BAF = 30.72)
log Kow used: 2.54 (estimated)
Volatilization from Water:
Henry LC: 0.192 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 0.8572 hours (51.43 min)
Half-Life from Model Lake : 79.58 hours (3.316 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.68 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 1.08 percent
Total to Air: 97.58 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 53.4 534 1000
Water 45.3 360 1000
Soil 1.06 720 1000
Sediment 0.2 3.24e+003 0
Persistence Time: 136 hr